################################################################################
#
# Potential database file for CP2K/Quickstep with spin-orbit coupling parameters
#
################################################################################
#
# Pseudopotentials of Goedecker, Teter and Hutter (GTH)
# -----------------------------------------------------
#
# History:    - Creation (26.06.2023, Matthias Krack)
#             - Last update (02.04.2024, MK)
#
# Literature: - S. Goedecker, M. Teter, and J. Hutter,
#               Phys. Rev. B 54, 1703 (1996)
#             - C. Hartwigsen, S. Goedecker, and J. Hutter,
#               Phys. Rev. B 58, 3641 (1998)
#             - M. Krack,
#               Theor. Chem. Acc. 114, 145 (2005)
#
# GTH-potential format:
#
# Element symbol  Name of the potential  Alias names
# n_elec(s)  n_elec(p)  n_elec(d)  ...
# r_loc   nexp_ppl        cexp_ppl(1) ... cexp_ppl(nexp_ppl)
# nprj
# r(1)    nprj_ppnl(1)    ((hprj_ppnl(1,i,j),j=i,nprj_ppnl(1)),i=1,nprj_ppnl(1))
# r(2)    nprj_ppnl(2)    ((hprj_ppnl(2,i,j),j=i,nprj_ppnl(2)),i=1,nprj_ppnl(2))
#                         ((kprj_ppnl(2,i,j),j=i,kprj_ppnl(2)),i=1,nprj_ppnl(2))
#  .       .               .
#  .       .               .
#  .       .               .
# r(nprj) nprj_ppnl(nprj) ((hprj_ppnl(nprj,i,j),j=i,nprj_ppnl(nprj)),
#                                               i=1,nprj_ppnl(nprj))
#                         ((kprj_ppnl(nprj,i,j),j=i,nprj_ppnl(nprj)),
#                                               i=1,nprj_ppnl(nprj))
#
# n_elec   : Number of electrons for each angular momentum quantum number
#            (electronic configuration -> s p d ...)
# r_loc    : Radius for the local part defined by the Gaussian function
#            exponent alpha_erf
# nexp_ppl : Number of the local pseudopotential functions
# cexp_ppl : Coefficients of the local pseudopotential functions
# nprj     : Number of the non-local projectors => nprj = SIZE(nprj_ppnl(:))
# r        : Radius of the non-local part for angular momentum quantum number l
#            defined by the Gaussian function exponents alpha_prj_ppnl
# nprj_ppnl: Number of the non-local projectors for the angular momentum
#            quantum number l
# hprj_ppnl: Coefficients of the non-local projector functions
# kprj_ppnl: Coefficients of the non-local projector functions (spin-orbit part)
#
################################################################################
#
# BLYP functional
#
################################################################################
#
H GTH-BLYP-q1 GTH-BLYP
    1
     0.20000000    2    -4.19596147     0.73049821
    0  SOC
#
He GTH-BLYP-q2 GTH-BLYP
    2
     0.20000000    2    -9.14737128     1.71197792
    0  SOC
#
Li GTH-BLYP-q3 GTH-BLYP
    3
     0.40000000    4   -14.11679756     9.67724760    -1.79886461     0.08624957
    0  SOC
#
Be GTH-BLYP-q4 GTH-BLYP
    4
     0.32500000    4   -24.08977105    17.30275720    -3.34561015     0.16601474
    0  SOC
#
B GTH-BLYP-q3 GTH-BLYP
    2    1
     0.42407181    2    -6.10890761     0.98586957
    2  SOC
     0.37086003    1     6.34339578
     0.34936716    1     0.00000000
                         0.00097157
#
C GTH-BLYP-q4 GTH-BLYP
    2    2
     0.33806609    2    -9.13626871     1.42925956
    2  SOC
     0.30232223    1     9.66551228
     0.28637912    1     0.00000000
                         0.00218693
#
N GTH-BLYP-q5 GTH-BLYP
    2    3
     0.28287094    2   -12.73646720     1.95107926
    2  SOC
     0.25523449    1    13.67893172
     0.24313253    1     0.00000000
                         0.00427174
#
O GTH-BLYP-q6 GTH-BLYP
    2    4
     0.24342026    2   -16.99189235     2.56614206
    2  SOC
     0.22083140    1    18.38885102
     0.21720070    1     0.00000000
                         0.00701707
#
F GTH-BLYP-q7 GTH-BLYP
    2    5
     0.21384014    2   -21.90241518     3.27597572
    2  SOC
     0.19459028    1    23.79658295
     0.18786326    1     0.00000000
                         0.01231140
#
Ne GTH-BLYP-q8 GTH-BLYP
    2    6
     0.19000000    2   -28.61959769     4.15549516
    2  SOC
     0.17823784    2    27.95784886     0.83365601
                                       -1.07624528
     0.15276372    1     0.33116999
                         0.02536097
#
Na GTH-BLYP-q1
    1
     0.69776697    1    -1.37447347
    2  SOC
     0.73364610    2     1.58066758    -0.03315581
                                        0.04280397
     0.89412359    1     0.32941028
                         0.00216182
#
Na GTH-BLYP-q9 GTH-BLYP
    3    6
     0.18000000    2    -8.89736724     3.95542446
    2  SOC
     0.14032741    1    38.64061548
     0.14772823    1    -7.58510197
                         0.03191433
#
Na GTH-BLYP-q9_old
    3    6
     0.23396502    2    -2.68948346    -0.50947770
    2  SOC
     0.14977690    1    32.85715860
     0.12319901    1   -13.99900802
                         0.06643935
#
Mg GTH-BLYP-q10 GTH-BLYP
    4    6
     0.20098403    2   -19.33029317     2.86005812
    2  SOC
     0.14107967    1    40.67473040
     0.10456134    1   -10.73617094
                         0.09867203
#
Mg GTH-BLYP-q2
    2
     0.61697665    1    -3.24611921
    2  SOC
     0.60092845    2     3.64729616    -0.76401307
                                        0.98633664
     0.70217751    1     0.94952736
                         0.00434516
#
Al GTH-BLYP-q3 GTH-BLYP
    2    1
     0.45000000    1    -7.66683204
    2  SOC
     0.49773601    2     6.46303151    -1.58386957
                                        2.04476682
     0.56545785    2     1.81826715     0.00000000
                                        0.00000000
                         0.01317681    -0.01235619
                                        0.01462004
#
Si GTH-BLYP-q4 GTH-BLYP
    2    2
     0.44000000    1    -6.25958674
    2  SOC
     0.44465247    2     8.31460936    -2.33277947
                                        3.01160535
     0.50279207    2     2.33241791     0.00000000
                                        0.00000000
                         0.01834255    -0.01561572
                                        0.01847676
#
P GTH-BLYP-q5 GTH-BLYP
    2    3
     0.43000000    1    -5.92953335
    2  SOC
     0.40286945    2    10.41483915    -3.13168757
                                        4.04299126
     0.45245811    2     2.95358263     0.00000000
                                        0.00000000
                         0.02544443    -0.02019126
                                        0.02389063
#
S GTH-BLYP-q6 GTH-BLYP
    2    4
     0.42000000    1    -5.98880045
    2  SOC
     0.36973266    2    12.55648450    -3.91290459
                                        5.05153810
     0.41287571    2     3.58772114     0.00000000
                                        0.00000000
                         0.03413380    -0.02540045
                                        0.03005422
#
Cl GTH-BLYP-q7 GTH-BLYP
    2    5
     0.41000000    1    -6.35705212
    2  SOC
     0.34311864    2    14.68134781    -4.64034312
                                        5.99065720
     0.38113517    2     4.22292428     0.00000000
                                        0.00000000
                         0.04439771    -0.03122323
                                        0.03694382
#
Ar GTH-BLYP-q8 GTH-BLYP
    2    6
     0.40000000    1    -7.10000000
    2  SOC
     0.32154985    2    16.80099893    -5.32871056
                                        6.87933576
     0.35544413    2     4.87719604     0.00000000
                                        0.00000000
                         0.05618134    -0.03790428
                                        0.04484895
#
K GTH-BLYP-q9 GTH-BLYP
    3    6
     0.40000000    2    -2.88013377    -1.21143500
    2  SOC
     0.30634684    2    17.51002284    -5.61037883
                                        7.24296793
     0.32105825    2     6.90321066    -2.19925814
                                        2.60219733
                         0.08354010    -0.05991894
                                        0.07089704
#
Ca GTH-BLYP-q10 GTH-BLYP
    4    6
     0.39000000    2    -4.03561119    -1.61257448
    3  SOC
     0.28936507    2    20.42566030    -7.23674813
                                        9.34260166
     0.31177925    2     7.53169389    -2.08537690
                                        2.46745122
                         0.14689663    -0.16976881
                                        0.20087317
     0.69141876    1     0.05522276
                         0.00045770
#
Sc GTH-BLYP-q11 GTH-BLYP
    4    6    1
     0.37687548    2     9.84009747    -1.16586015
    3  SOC
     0.35998897    2     3.30610316     2.54796421
                                       -3.28940766
     0.22099375    2    -0.43488219     6.46425824
                                       -7.64861350
                         0.32060060    -0.40741217
                                        0.48205658
     0.23338021    1   -10.13403863
                         0.00602522
#
Ti GTH-BLYP-q12 GTH-BLYP
    4    6    2
     0.38000000    2     8.71144218    -0.70028677
    3  SOC
     0.33777078    2     2.57526386     3.69297065
                                       -4.76760461
     0.24253135    2    -4.63054123     8.87087502
                                      -10.49616087
                         0.20121752    -0.06088315
                                        0.07203791
     0.24331694    1    -9.40665268
                         0.00584456
#
V GTH-BLYP-q13 GTH-BLYP
    4    6    3
     0.37500000    2     7.09567441    -0.32225919
    3  SOC
     0.32984260    2     1.99203993     4.73916314
                                       -6.11823331
     0.24621323    2    -5.54974480     8.76420181
                                      -10.36994343
                         0.18318383    -0.05165400
                                        0.06111784
     0.24115328    1    -9.44436162
                         0.00654286
#
Cr GTH-BLYP-q14 GTH-BLYP
    3    6    5
     0.37000000    2     5.81498098    -0.67571792
    3  SOC
     0.31671447    2     2.60698311     5.06715750
                                       -6.54167220
     0.23961307    2    -4.66668172     7.57290229
                                       -8.96037883
                         0.22512531    -0.11572588
                                        0.13692871
     0.22092939    1   -11.18989241
                         0.00890546
#
Mn GTH-BLYP-q15 GTH-BLYP
    4    6    5
     0.36500000    2     6.17870291    -0.44450988
    3  SOC
     0.29784355    2     1.69433567     6.39053422
                                       -8.25014420
     0.24582549    2    -6.53742440     7.84591162
                                       -9.28340782
                         0.16127112    -0.00826880
                                        0.00978378
     0.22244655    1   -11.66961579
                         0.00954300
#
Fe GTH-BLYP-q16 GTH-BLYP
    4    6    6
     0.36000000    2     7.01102510    -0.22274667
    3  SOC
     0.27620533    2     0.61149598     7.99235733
                                      -10.31808895
     0.24713005    2    -8.71055592     8.68416924
                                      -10.27524761
                         0.12320011     0.05927722
                                       -0.07013775
     0.22353398    1   -12.41150401
                         0.01032322
#
Co GTH-BLYP-q17 GTH-BLYP
    4    6    7
     0.35500000    2     3.43297847     0.61491331
    3  SOC
     0.27555403    2     0.19362864     9.18128009
                                      -11.85298162
     0.24312795    2    -8.92204873     9.23263048
                                      -10.92419570
                         0.11254274     0.08837579
                                       -0.10456764
     0.22362456    1   -11.75878279
                         0.01134240
#
Ni GTH-BLYP-q18 GTH-BLYP
    4    6    8
     0.35000000    2     4.07602942     0.23312841
    3  SOC
     0.25714683    2     0.09878517    10.14864210
                                      -13.10184061
     0.24975271    2    -8.34861501     7.26677120
                                       -8.59815964
                         0.06319936     0.14853671
                                       -0.17575101
     0.21247761    1   -13.67293293
                         0.01389591
#
Cu GTH-BLYP-q11 GTH-BLYP
    1    0   10
     0.53000000    0
    3  SOC
     0.43078178    3    10.29852604    -6.05837033     1.70054574
                                       10.58726032    -4.39079021
                                                       3.48508169
     0.55080544    2     2.74458701    -0.86295510
                                        1.02106225
                         0.09860631    -0.13039301
                                        0.15428309
     0.26558610    1   -12.66158247
                         0.01049591
#
Cu GTH-BLYP-q19
    3    6   10
     0.34500000    2     0.00729001     1.26270041
    3  SOC
     0.25025136    2     0.78207556    10.69795592
                                      -13.81100171
     0.22145058    2   -13.10305990    14.86802590
                                      -17.59208548
                         0.13673156     0.19670360
                                       -0.23274283
     0.21548515    1   -12.45211713
                         0.01482908
#
Zn GTH-BLYP-q12 GTH-BLYP
    2    0   10
     0.51000000    0
    3  SOC
     0.39855016    3    11.95945993    -8.66522085     2.80807710
                                       15.75408976    -7.25042390
                                                       5.75484556
     0.54556247    2     2.51050004    -0.44032483
                                        0.52099937
                         0.09865412    -0.10272221
                                        0.12154255
     0.25168465    1   -14.32309848
                         0.01276596
#
Zn GTH-BLYP-q20
    4    6   10
     0.34000000    2     0.69029187     1.23803712
    3  SOC
     0.24511603    2    -1.58948215    12.87573398
                                      -16.62250109
     0.23151219    2   -10.91449266     9.54377070
                                      -11.29234178
                         0.02258322     0.27627630
                                       -0.32689453
     0.20860634    1   -14.24182139
                         0.01732202
#
Ga GTH-BLYP-q13 GTH-BLYP
    2    1   10
     0.49000000    0
    3  SOC
     0.39467346    3    12.48450375    -7.17987436     1.92607131
                                       12.40193316    -4.97309473
                                                       3.94727157
     0.58027448    2     1.59145844     0.32153951
                                       -0.38045068
                         0.07392145    -0.04600991
                                        0.05443966
     0.23867979    1   -16.11979876
                         0.01549823
#
Ga GTH-BLYP-q3
    2    1
     0.56000000    0
    3  SOC
     0.57532960    3     2.06609505     1.21904266    -0.87326380
                                       -2.99414098     2.25475743
                                                      -1.78965823
     0.67710486    2     0.14524752     0.72041368
                                       -0.85240496
                         0.03602389    -0.00400132
                                        0.00473443
     0.94154174    1     0.10030959
                         0.00111860
#
Ge GTH-BLYP-q4 GTH-BLYP
    2    2
     0.54000000    0
    3  SOC
     0.42737427    3     7.55651469    -0.07090242    -1.72596317
                                       -2.71574467     4.45641774
                                                      -3.53717192
     0.57489897    2     0.80056266     0.71307408
                                       -0.84372063
                         0.07276265    -0.02664803
                                        0.03153038
     0.78547258    1     0.21870790
                         0.00244567
#
As GTH-BLYP-q5 GTH-BLYP
    2    3
     0.52000000    0
    3  SOC
     0.45698284    3     5.57976394     0.11777254    -0.99243898
                                       -1.76624582     2.56246643
                                                      -2.03389468
     0.55494716    2     1.00097684     0.68325082
                                       -0.80843328
                         0.07972863    -0.03099930
                                        0.03667887
     0.68498074    1     0.34818137
                         0.00382359
#
Se GTH-BLYP-q6 GTH-BLYP
    2    4
     0.51000000    0
    3  SOC
     0.43367514    3     6.43369922    -0.22063995    -1.17545323
                                       -1.62702987     3.03500718
                                                      -2.40896227
     0.47248310    2     2.23970327     0.40191857
                                       -0.47555647
                         0.15331399    -0.08979642
                                        0.10624855
     0.60911821    1     0.49494679
                         0.00563899
#
Br GTH-BLYP-q7 GTH-BLYP
    2    5
     0.50000000    0
    3  SOC
     0.43612268    3     6.23128313     0.21889262    -1.12467641
                                       -2.11187548     2.90390201
                                                      -2.30490077
     0.45379296    2     2.46574310     0.49636818
                                       -0.58731075
                         0.17381301    -0.09789674
                                        0.11583298
     0.53315603    1     0.74724056
                         0.00922547
#
Kr GTH-BLYP-q8 GTH-BLYP
    2    6
     0.50000000    0
    3  SOC
     0.42362066    3     6.37382917     0.49858632    -1.41991709
                                       -2.95316749     3.66621015
                                                      -2.90996409
     0.43391338    2     2.63230352     0.64517712
                                       -0.76338386
                         0.20138044    -0.10962778
                                        0.12971333
     0.51315369    1     0.70954468
                         0.00935579
#
Rb GTH-BLYP-q9
    3    6
     0.49000000    2     5.75447985    -0.48374192
    3  SOC
     0.25518839    2    30.72215135   -12.19094908
                                       15.73844759
     0.33800292    2     4.39362252     0.00000000
                                        0.00000000
                         0.52109682    -0.60072219
                                        0.71078408
     0.58372659    1     0.18537105
                         0.00517045
#
Sr GTH-BLYP-q10 GTH-BLYP
    4    6
     0.48000000    2     6.75494554    -1.12140847
    3  SOC
     0.27574829    2    20.90591056    -7.66251431
                                        9.89226343
     0.27951874    2    11.83709620   -11.14034857
                                       13.18143819
                         1.40018315    -2.46700888
                                        2.91900428
     0.53145306    1     0.32212393
                         0.00723386
#
Y GTH-BLYP-q11 GTH-BLYP
    4    6    1
     0.47500000    2    12.12173196    -2.23590662
    3  SOC
     0.24768420    2    22.15257967    -7.66355161
                                        9.89360259
     0.29467778    2     5.85308697    -5.77308732
                                        6.83080904
                         1.30982337    -2.64191848
                                        3.12596010
     0.45213814    2     1.12663777    -1.27929123
                                        1.45057990
                         0.01194217     0.00148803
                                       -0.00168727
#
Zr GTH-BLYP-q12 GTH-BLYP
    4    6    2
     0.47000000    2     7.68287419    -1.83482397
    3  SOC
     0.26098833    2    22.58608773    -8.39346102
                                       10.83591158
     0.28950143    2     8.50003567    -5.29014738
                                        6.25938680
                         1.00471258    -1.39881333
                                        1.65509826
     0.57680903    2     0.04082300     0.26426022
                                       -0.29964293
                        -0.00243928     0.01088738
                                       -0.01234513
#
Mo GTH-BLYP-q14 GTH-BLYP
    3    6    5
     0.43000000    2    28.10289595    -4.36588317
    3  SOC
     0.34238035    2    -0.06850864     2.98011244
                                       -3.84730862
     0.41442576    2    -0.15765657    -0.95307240
                                        1.12769047
                         0.17840261     0.05046622
                                       -0.05971244
     0.42539061    2     1.13742343    -2.64549690
                                        2.99971152
                         0.00021638     0.02328616
                                       -0.02640403
#
Ru GTH-BLYP-q16 GTH-BLYP
    3    6    7
     0.43000000    2    26.85974124    -5.05749455
    3  SOC
     0.33894617    2    -0.50446833     3.70095133
                                       -4.77790762
     0.42823486    2     0.15024145    -1.32523126
                                        1.56803477
                        -0.17985594     0.51895455
                                       -0.61403530
     0.43752832    2     1.52972881    -2.96335285
                                        3.36012630
                        -0.01539633     0.04229415
                                       -0.04795706
#
Rh GTH-BLYP-q17 GTH-BLYP
    3    6    8
     0.42000000    2    27.21859006    -5.26666561
    3  SOC
     0.33775970    2    -0.37805742     3.85156484
                                       -4.97234883
     0.40476998    2    -0.26519119    -0.79135076
                                        0.93633885
                        -0.04835942     0.40590578
                                       -0.48027419
     0.43219447    2     1.68856873    -3.13689837
                                        3.55690842
                        -0.02151269     0.05113252
                                       -0.05797883
#
Pd GTH-BLYP-q18 GTH-BLYP
    2    6   10
     0.41000000    2    26.65379780    -4.86862194
    3  SOC
     0.33643267    2    -0.66218232     4.36901475
                                       -5.64037379
     0.41121734    2    -0.16335747    -0.94666822
                                        1.12011294
                        -0.34640095     0.76889888
                                       -0.90977342
     0.44038158    2     1.64374463    -3.09751466
                                        3.51225149
                        -0.03155798     0.06254070
                                       -0.07091449
#
Ag GTH-BLYP-q11 GTH-BLYP
    1    0   10
     0.57000000    1     0.27329871
    3  SOC
     0.53113691    3     9.45447859    -4.73986410     0.59512748
                                        7.08711317    -1.53661256
                                                       1.21964841
     0.62572123    2     3.90619533    -1.71774975
                                        2.03246891
                         0.25589684    -0.42619674
                                        0.50428278
     0.40832785    2    -2.77610164    -0.36178338
                                        0.41022380
                        -0.05040151     0.09143388
                                       -0.10367628
#
Ag GTH-BLYP-q19
    3    6   10
     0.40000000    2    24.37631116    -4.16834876
    3  SOC
     0.31731325    2     0.69929536     4.25162666
                                       -5.48882642
     0.41393281    2    -0.30767006    -0.44941724
                                        0.53175765
                        -0.17144814     0.56284103
                                       -0.66596249
     0.45569543    2     1.75618266    -3.09368795
                                        3.50791241
                        -0.03336154     0.06201267
                                       -0.07031576
#
In GTH-BLYP-q13 GTH-BLYP
    2    1   10
     0.53000000    1     3.57797710
    3  SOC
     0.47995615    3    11.20107941    -6.26219645     1.21444270
                                       10.05975207    -3.13567758
                                                       2.48886692
     0.56617182    2     4.78019859    -2.24059762
                                        2.65111085
                         0.34511108    -0.57126278
                                        0.67592724
     0.37728287    2    -4.24415179    -0.59846912
                                        0.67860020
                        -0.07872456     0.13536773
                                       -0.15349258
#
In GTH-BLYP-q3
    2    1
     0.61000000    1     3.20683546
    3  SOC
     0.72668632    3     0.70288050     1.01907230    -0.54239646
                                       -2.19782459     1.40046163
                                                      -1.11158196
     0.85226033    2     0.01176733     0.48673996
                                       -0.57591849
                         0.06279077     0.00256869
                                       -0.00303932
     1.06121328    1     0.15160282
                         0.00295816
#
Sb GTH-BLYP-q5 GTH-BLYP
    2    3
     0.59000000    1     7.71520811
    3  SOC
     0.56281517    3     1.46135468     1.28119333    -0.94856576
                                       -3.19685579     2.44918625
                                                      -1.94398132
     0.64746318    2     0.46086693     0.43857096
                                       -0.51892416
                         0.20656798    -0.05839219
                                        0.06909057
     0.85920174    1     0.31255771
                         0.00827495
#
Te GTH-BLYP-q6 GTH-BLYP
    2    4
     0.57500000    1     8.54112001
    3  SOC
     0.57657850    3     1.45132840     0.97095302    -0.49085149
                                       -2.05186498     1.26737311
                                                      -1.00594622
     0.60434855    2     0.70106128     0.40189978
                                       -0.47553423
                         0.26458681    -0.09794098
                                        0.11588533
     0.79625711    1     0.38178821
                         0.01038440
#
I GTH-BLYP-q7 GTH-BLYP
    2    5
     0.56000000    1    13.73638610
    3  SOC
     0.58939001    3     0.21393489     0.88456526    -0.02067022
                                       -1.17558896     0.05337028
                                                      -0.04236135
     0.54232717    2     0.28721066     0.46932671
                                       -0.55531485
                         0.40188521    -0.20801232
                                        0.24612350
     0.77040507    1     0.30709615
                         0.01171001
#
Xe GTH-BLYP-q8
    2    6
     0.56000000    1     8.59949070
    3  SOC
     0.49592925    3     2.81672987     1.44752782    -1.40786958
                                       -4.15865041     3.63510361
                                                      -2.88527404
     0.48311258    2     2.11273917     0.00000000
                                        0.00000000
                         0.60477974    -0.44942572
                                        0.53176769
     0.69721940    1     0.50983839
                         0.01549055
#
Cs GTH-BLYP-q9
    3    6
     0.54000000    2    33.07782844    -2.80842052
    4  SOC
     0.45607453    2    -3.56881717     2.63732767
                                       -3.40477539
     0.36820141    3    -5.01061387     0.77988492     0.00000000
                                       -0.92277228     0.00000000
                                                       0.00000000
                         1.57437238    -4.51408532     0.71637516
                                        6.53379317    -1.69525304
                                                       1.20482534
     0.75684499    1     0.20052308
                         0.01094188
     0.58463791    1    -1.70870691
                         0.00200941
#
Ba GTH-BLYP-q10 GTH-BLYP
    4    6
     0.54000000    2    24.53545105    -2.47807384
    4  SOC
     0.48569784    2     0.09387924     1.15171729
                                       -1.48686063
     0.39622579    3     0.84537359    -1.74106987     0.00000000
                                        2.06006165     0.00000000
                                                       0.00000000
                         1.36342030    -2.06088251     0.55122185
                                        3.35616939    -1.30442898
                                                       0.92706460
     0.66014281    1     0.42755776
                         0.01819811
     0.30049122    1   -19.65179380
                         0.00609554
#
Ba GTH-BLYP-q2
    2
     1.20000000    0
    3  SOC
     1.03638675    3     1.42164527    -0.44534139    -0.07451309
                                        0.45373771     0.19239197
                                                      -0.15270639
     1.25440147    2     0.73041014    -0.29211206
                                        0.34563165
                         0.08616271    -0.10792940
                                        0.12770379
     0.87881774    1    -0.85472852
                         0.00643586
#
Ce GTH-BLYP-q12 GTH-BLYP
    4    6    1    1
     0.52864798    2    19.13548995    -0.59690386
    4  SOC
     0.52094620    2    -0.55473220     1.70057992
                                       -2.19543924
     0.45984533    3    -0.92453341     1.99827739     0.00000000
                                       -2.36439369     0.00000000
                                                       0.00000000
                         0.71156537    -0.31578226     0.11098421
                                        0.55841040    -0.26263659
                                                       0.18665722
     0.67639660    1     0.10451755
                         0.01512306
     0.30436847    1   -17.54504586
                         0.00795063
#
Gd GTH-BLYP-q18 GTH-BLYP
    4    6    1    7
     0.52166157    2    18.16996137    -0.54313383
    4  SOC
     0.45763555    2    -2.89847533     3.94756205
                                       -5.09628069
     0.45903313    3    -3.22259659     2.93618073    -0.30453227
                                       -3.98113568     0.72065489
                                                      -0.51217326
                         0.59368030    -0.26004061     0.29188596
                                        0.79362981    -0.69072824
                                                       0.49090423
     0.48380572    1    -0.84857548
                         0.05010468
     0.27560057    1   -22.19038178
                         0.01468493
#
W GTH-BLYP-q14 GTH-BLYP
    4    6    4
     0.54000000    2     6.68380890    -0.31709158
    3  SOC
     0.39238521    3    -1.92936041     4.30955402     2.23540296
                                       -1.92772713    -5.77178561
                                                       4.58121281
     0.39242369    3    -5.22265341     6.11414396     0.00000000
                                       -7.23435270     0.00000000
                                                       0.00000000
                         0.29105938     1.69959972    -1.52790172
                                       -4.55471685     3.61567538
                                                      -2.56967970
     0.37281208    2    -6.46250589     7.70934709
                                       -8.74157793
                         0.14792529     0.02425254
                                       -0.02749979
#
Au GTH-BLYP-q11 GTH-BLYP
    1    0   10
     0.59000000    1    10.81589381
    3  SOC
     0.52572747    2     6.71867015    -2.66620610
                                        3.44205728
     0.60526597    2     4.32132354    -4.09465015
                                        4.84485539
                         1.22308608    -2.50209180
                                        2.96051494
     0.43903160    2    -7.45153985     3.06802476
                                       -3.47881309
                        -0.13007124     0.27589874
                                       -0.31283977
#
Au GTH-BLYP-q19
    3    6   10
     0.49000000    2     9.10574107    -0.31170627
    3  SOC
     0.28881911    3    -5.84394846    25.76364500   -14.96878334
                                      -57.60745060    38.64923240
                                                     -30.67687719
     0.35793393    3    -6.87735522     7.88320706     0.00000000
                                       -9.32753639     0.00000000
                                                       0.00000000
                         0.67624200     1.56654531    -1.38797606
                                       -4.16432987     3.28455083
                                                      -2.33434772
     0.33407191    2    -8.71118504     9.49731666
                                      -10.76894486
                         0.18654363     0.03506514
                                       -0.03976013
#
Pb GTH-BLYP-q4
    2    2
     0.61750000    1     5.33520808
    3  SOC
     0.62372070    3     0.77431309     2.33644883    -1.62011026
                                       -5.65145200     4.18310671
                                                      -3.32023802
     0.81430558    2     0.08023553     0.61572271
                                       -0.72853293
                         0.28141709     0.01630303
                                       -0.01929000
     0.95575855    1     0.39678153
                         0.02834363
#
Bi GTH-BLYP-q15
    2    3   10
     0.51000000    1    13.61415171
    3  SOC
     0.47534187    2    10.01031001    -4.17527106
                                        5.39025176
     0.54300464    3     5.84572146    -3.45677684     0.00000000
                                        4.09011352     0.00000000
                                                       0.00000000
                         1.72170626    -2.48209866     1.23864533
                                        4.99901431    -2.93116983
                                                       2.08319797
     0.39904006    2    -5.95513083     0.85300728
                                       -0.96721934
                        -0.16917488     0.34986026
                                       -0.39670425
#
Bi GTH-BLYP-q5 GTH-BLYP
    2    3
     0.60500000    1     8.13212850
    3  SOC
     0.59003694    3     0.58526544     2.28713930    -1.46002100
                                       -5.32740847     3.76975801
                                                      -2.99215266
     0.77185023    2     0.16538598     0.48986468
                                       -0.57961570
                         0.33618913     0.01018503
                                       -0.01205109
     0.93145569    1     0.39528270
                         0.02468322
#
################################################################################
#
# BP functional
#
################################################################################
#
H GTH-BP-q1 GTH-BP
    1
     0.20000000    2    -4.18576872     0.72693955
    0  SOC
#
He GTH-BP-q2 GTH-BP
    2
     0.20000000    2    -9.13007508     1.70547521
    0  SOC
#
Li GTH-BP-q3 GTH-BP
    3
     0.40000000    4   -14.06056862     9.58589939    -1.77248513     0.08455183
    0  SOC
#
Be GTH-BP-q4 GTH-BP
    4
     0.32500000    4   -24.05179710    17.25001598    -3.33397632     0.16556913
    0  SOC
#
B GTH-BP-q3 GTH-BP
    2    1
     0.41689069    2    -5.92229378     0.92456157
    2  SOC
     0.37107711    1     6.29599634
     0.35853552    1     0.00000000
                         0.00089671
#
C GTH-BP-q4 GTH-BP
    2    2
     0.33679692    2    -8.86848685     1.35447596
    2  SOC
     0.30241022    1     9.62271161
     0.28961690    1     0.00000000
                         0.00211120
#
N GTH-BP-q5 GTH-BP
    2    3
     0.28309178    2   -12.45088915     1.87519554
    2  SOC
     0.25528977    1    13.63656889
     0.24443710    1     0.00000000
                         0.00420024
#
O GTH-BP-q6 GTH-BP
    2    4
     0.24401839    2   -16.70590802     2.49292672
    2  SOC
     0.22086487    1    18.34759371
     0.21290362    1     0.00000000
                         0.00740576
#
F GTH-BP-q7 GTH-BP
    2    5
     0.21448854    2   -21.61832219     3.20543202
    2  SOC
     0.19461036    1    23.75712327
     0.18640875    1     0.00000000
                         0.01256622
#
Ne GTH-BP-q8 GTH-BP
    2    6
     0.19000000    2   -27.05603079     4.33563519
    2  SOC
     0.17609718    2    28.15075707     0.83365601
                                       -1.07624528
     0.19349680    1    -0.24066336
                         0.01330998
#
Na GTH-BP-q1
    1
     0.75473588    1    -2.13985326
    2  SOC
     0.72207334    2     2.08932802    -0.33891173
                                        0.43753317
     0.87531990    1     0.49722485
                         0.00229808
#
Na GTH-BP-q9 GTH-BP
    3    6
     0.18000000    2    -8.85742877     3.94154982
    2  SOC
     0.14021499    1    38.68824949
     0.14800365    1    -7.53706805
                         0.03171192
#
Na GTH-BP-q9_old
    3    6
     0.21033221    2     1.69258850     0.50357981
    2  SOC
     0.13173054    1    40.12933608
     0.14067337    1   -12.69190352
                         0.03635239
#
Mg GTH-BP-q10 GTH-BP
    4    6
     0.20344528    2   -19.14863290     2.82311627
    2  SOC
     0.14101308    1    40.61528144
     0.10485644    1   -10.81236006
                         0.09788317
#
Al GTH-BP-q3 GTH-BP
    2    1
     0.45000000    1    -7.51792352
    2  SOC
     0.48626591    2     6.97775636    -1.91568248
                                        2.47313545
     0.56192765    2     1.85584177     0.00000000
                                        0.00000000
                         0.01323920    -0.01256116
                                        0.01486256
#
Si GTH-BP-q4 GTH-BP
    2    2
     0.44000000    1    -6.31784112
    2  SOC
     0.43603553    2     8.90462481    -2.69406309
                                        3.47802049
     0.49841919    2     2.41937486     0.00000000
                                        0.00000000
                         0.01872733    -0.01623667
                                        0.01921149
#
P GTH-BP-q5 GTH-BP
    2    3
     0.43000000    1    -5.89229627
    2  SOC
     0.39681575    2    10.93288778    -3.45803253
                                        4.46430080
     0.44912129    2     3.03004831     0.00000000
                                        0.00000000
                         0.02592002    -0.02088332
                                        0.02470948
#
S GTH-BP-q6 GTH-BP
    2    4
     0.42000000    1    -6.03304243
    2  SOC
     0.36545997    2    13.05126503    -4.21706733
                                        5.44421051
     0.41024550    2     3.67822896     0.00000000
                                        0.00000000
                         0.03472626    -0.02624780
                                        0.03105681
#
Cl GTH-BP-q7 GTH-BP
    2    5
     0.41000000    1    -6.39460178
    2  SOC
     0.34001772    2    15.11347341    -4.90811514
                                        6.33634940
     0.37914105    2     4.30633607     0.00000000
                                        0.00000000
                         0.04504521    -0.03215038
                                        0.03804084
#
Ar GTH-BP-q8 GTH-BP
    2    6
     0.40000000    1    -7.10000000
    2  SOC
     0.31922565    2    17.15805529    -5.55332249
                                        7.16930851
     0.35391145    2     4.94347383     0.00000000
                                        0.00000000
                         0.05681598    -0.03876196
                                        0.04586377
#
K GTH-BP-q9 GTH-BP
    3    6
     0.40000000    2    -3.20803677    -1.13958016
    2  SOC
     0.30531669    2    17.82113209    -5.62459155
                                        7.26131647
     0.31728644    2     7.27073764    -2.45836276
                                        2.90877405
                         0.08865531    -0.06881746
                                        0.08142592
#
Ca GTH-BP-q10 GTH-BP
    4    6
     0.39000000    2    -5.15066460    -1.27635919
    3  SOC
     0.29180561    2    20.37501847    -6.39225402
                                        8.25236446
     0.30585091    2     8.08679088    -2.35194765
                                        2.78286199
                         0.15728531    -0.18975832
                                        0.22452508
     0.69084590    1     0.05057463
                         0.00045683
#
Sc GTH-BP-q11 GTH-BP
    4    6    1
     0.38500000    2     8.15113811    -0.54578786
    3  SOC
     0.36408582    2     2.63374349     3.01189542
                                       -3.88834027
     0.24337293    2    -2.59643301     7.97785436
                                       -9.43952457
                         0.21406395    -0.12072126
                                        0.14283933
     0.25316272    1    -8.16168667
                         0.00481122
#
Ti GTH-BP-q12 GTH-BP
    4    6    2
     0.38000000    2     8.75240544    -0.72051287
    3  SOC
     0.33725619    2     2.57793688     3.67192953
                                       -4.74044064
     0.24244686    2    -4.63571761     8.84700754
                                      -10.46792049
                         0.20224084    -0.06926716
                                        0.08195800
     0.24327738    1    -9.40815808
                         0.00583168
#
V GTH-BP-q13 GTH-BP
    4    6    3
     0.37500000    2     7.15179161    -0.34356487
    3  SOC
     0.32978741    2     1.96706044     4.72624160
                                       -6.10155167
     0.24617385    2    -5.58236403     8.79691014
                                      -10.40864444
                         0.17603798    -0.03539841
                                        0.04188397
     0.24115908    1    -9.44742960
                         0.00652758
#
Cr GTH-BP-q14 GTH-BP
    3    6    5
     0.37000000    2     5.65864275    -0.68098927
    3  SOC
     0.31450745    2     2.82535174     5.00194988
                                       -6.45748952
     0.24079099    2    -4.43722064     7.25268232
                                       -8.58148945
                         0.16393091     0.00849326
                                       -0.01004936
     0.22035720    1   -11.18549799
                         0.00894304
#
Mn GTH-BP-q15 GTH-BP
    4    6    5
     0.36500000    2     6.08697327    -0.45767880
    3  SOC
     0.29664936    2     1.82641604     6.37301365
                                       -8.22752524
     0.24691092    2    -6.51555304     7.91051030
                                       -9.35984202
                         0.16696062    -0.01974191
                                        0.02335894
     0.22235797    1   -11.61828411
                         0.00954509
#
Fe GTH-BP-q16 GTH-BP
    4    6    6
     0.36000000    2     6.76627078    -0.22960467
    3  SOC
     0.27801949    2     0.64092335     7.90310889
                                      -10.20286971
     0.25211093    2    -7.91342590     7.66613465
                                       -9.07069285
                         0.10854545     0.06334195
                                       -0.07494721
     0.22286543    1   -12.38774903
                         0.01037542
#
Co GTH-BP-q17 GTH-BP
    4    6    7
     0.35500000    2     3.11870813     0.60978675
    3  SOC
     0.27344715    2     0.60869990     9.05959793
                                      -11.69589063
     0.24486485    2    -8.73194160     9.19441838
                                      -10.87898254
                         0.02925728     0.21093380
                                       -0.24958023
     0.22321373    1   -11.65940289
                         0.01138097
#
Ni GTH-BP-q18 GTH-BP
    4    6    8
     0.35000000    2     1.98092026     0.67873534
    3  SOC
     0.26151729    2     0.64051423     9.97129765
                                      -12.87288991
     0.22299669    2   -11.03584887    12.32415881
                                      -14.58214136
                         0.19014350     0.06109536
                                       -0.07228901
     0.21531615    1   -12.60737765
                         0.01349958
#
Cu GTH-BP-q11 GTH-BP
    1    0   10
     0.53000000    0
    3  SOC
     0.42826021    3     9.92997278    -6.73378071     2.06123370
                                       12.04587038    -5.32208253
                                                       4.22427205
     0.56179993    2     2.52706517    -0.76026621
                                        0.89955911
                         0.09134356    -0.11282255
                                        0.13349344
     0.26481830    1   -12.79028986
                         0.01047246
#
Zn GTH-BP-q12 GTH-BP
    2    0   10
     0.51000000    0
    3  SOC
     0.39853504    3    11.71430184    -8.95271466     3.10389577
                                       16.60639177    -8.01422441
                                                       6.36109342
     0.54277993    2     2.59454952    -0.56410898
                                        0.66746275
                         0.10059374    -0.10802690
                                        0.12781915
     0.25119891    1   -14.42369639
                         0.01274218
#
Ga GTH-BP-q13 GTH-BP
    2    1   10
     0.49000000    0
    3  SOC
     0.39614555    3    12.22933993    -7.15254431     2.02087227
                                       12.52084398    -5.21786976
                                                       4.14155572
     0.57682875    2     1.65710194     0.27257669
                                       -0.32251709
                         0.07542069    -0.04799375
                                        0.05678697
     0.23837295    1   -16.19719645
                         0.01547408
#
Ge GTH-BP-q4 GTH-BP
    2    2
     0.54000000    0
    3  SOC
     0.42652691    3     7.46008807    -0.10148543    -1.79977798
                                       -2.79632198     4.64700676
                                                      -3.68844727
     0.57081829    2     0.83232240     0.67204801
                                       -0.79517793
                         0.07420422    -0.02934849
                                        0.03472561
     0.80229340    1     0.20140599
                         0.00223781
#
As GTH-BP-q5 GTH-BP
    2    3
     0.52000000    0
    3  SOC
     0.45615688    3     5.51837021     0.17312741    -1.14220882
                                       -2.08130930     2.94917048
                                                      -2.34083150
     0.55642685    2     0.96871581     0.69251828
                                       -0.81939868
                         0.07812831    -0.03056611
                                        0.03616631
     0.70085191    1     0.31310326
                         0.00341659
#
Se GTH-BP-q6 GTH-BP
    2    4
     0.51000000    0
    3  SOC
     0.43378134    3     6.42760223    -0.11666018    -1.25092543
                                       -1.88402272     3.22987558
                                                      -2.56363426
     0.47287696    2     2.19350862     0.46354749
                                       -0.54847679
                         0.15174716    -0.08868825
                                        0.10493735
     0.61779280    1     0.45787624
                         0.00521157
#
Br GTH-BP-q7 GTH-BP
    2    5
     0.50000000    0
    3  SOC
     0.43844329    3     6.02809057     0.36950836    -1.26583607
                                       -2.53591576     3.26837467
                                                      -2.59419197
     0.45265302    2     2.45444938     0.55326441
                                       -0.65463128
                         0.17469218    -0.09868258
                                        0.11676281
     0.57270080    1     0.53453193
                         0.00627263
#
Kr GTH-BP-q8 GTH-BP
    2    6
     0.50000000    0
    3  SOC
     0.42201160    3     6.43640090     0.55484448    -1.49019203
                                       -3.14009866     3.84765927
                                                      -3.05398486
     0.43381353    2     2.58759250     0.72129118
                                       -0.85344324
                         0.20057344    -0.10865660
                                        0.12856423
     0.54760510    1     0.52878835
                         0.00672510
#
Zr GTH-BP-q12 GTH-BP
    4    6    2
     0.47000000    2     7.71710396    -1.87349588
    3  SOC
     0.26012850    2    23.33316266    -8.48756302
                                       10.95739674
     0.28909449    2     8.57471103    -5.33803887
                                        6.31605277
                         0.99836616    -1.38922136
                                        1.64374888
     0.57923104    2     0.03180631     0.27415481
                                       -0.31086233
                        -0.00249429     0.01082010
                                       -0.01226884
#
Ru GTH-BP-q16 GTH-BP
    3    6    7
     0.43000000    2    14.95348689    -0.02426473
    3  SOC
     0.35723814    2    -1.36117090     5.92761103
                                       -7.65251293
     0.36153743    2    -4.67111662     4.55280704
                                       -5.38695393
                         0.26125760     0.04040413
                                       -0.04780681
     0.47093469    2     0.51873585    -2.29176040
                                        2.59861204
                        -0.02452836     0.04787320
                                       -0.05428310
#
Te GTH-BP-q6 GTH-BP
    2    4
     0.57500000    1     8.45045608
    3  SOC
     0.57841719    3     1.43632249     1.01620377    -0.52198665
                                       -2.16092478     1.34776374
                                                      -1.06975431
     0.60416533    2     0.67900355     0.42745229
                                       -0.50576837
                         0.26232651    -0.10115664
                                        0.11969015
     0.80633893    1     0.35636810
                         0.00968443
#
Cs GTH-BP-q1
    1
     1.20000000    0
    3  SOC
     1.15311277    3     0.93256439     0.00814108    -0.14921814
                                       -0.25321342     0.38527959
                                                      -0.30580619
     1.29745832    2     0.63229903    -0.43114835
                                        0.51014161
                         0.09182444    -0.15037295
                                        0.17792367
     1.01147944    1    -0.69777439
                         0.00402818
#
Cs GTH-BP-q9 GTH-BP
    3    6
     0.54000000    2    33.18925821    -2.80669630
    4  SOC
     0.44888547    2    -3.15382781     3.31288554
                                       -4.27691685
     0.36087547    3    -5.24766705     3.25354824     0.00000000
                                       -3.84965020     0.00000000
                                                       0.00000000
                         0.59992584    -5.39456390     0.42887031
                                        7.09693775    -1.01489239
                                                       0.72128942
     0.76171895    1     0.18517971
                         0.01064246
     0.33862935    1   -16.82118432
                         0.00541103
#
Au GTH-BP-q11
    1    0   10
     0.59000000    1    10.62376865
    3  SOC
     0.53803750    2     6.00785520    -2.34452337
                                        3.02676666
     0.60560054    2     4.37533897    -4.26458410
                                        5.04592396
                         1.28088214    -2.50839829
                                        2.96797689
     0.43922932    2    -7.29174553     2.89836819
                                       -3.28644061
                        -0.12553595     0.26743662
                                       -0.30324462
#
################################################################################
#
# HCTH120 functional
#
################################################################################
#
H GTH-HCTH120-q1 GTH-HCTH120
    1
     0.20000000    2    -4.17956174     0.72571934
    0  SOC
#
C GTH-HCTH120-q4 GTH-HCTH120
    2    2
     0.33476327    2    -8.73799634     1.35592059
    2  SOC
     0.30224259    1     9.60562026
     0.29150776    1     0.00000000
                         0.00207043
#
N GTH-HCTH120-q5 GTH-HCTH120
    2    3
     0.28289705    2   -12.19488993     1.83989918
    2  SOC
     0.25526540    1    13.60420273
     0.24618482    1     0.00000000
                         0.00411058
#
O GTH-HCTH120-q6 GTH-HCTH120
    2    4
     0.24476117    2   -16.35853832     2.42680904
    2  SOC
     0.22092765    1    18.29885210
     0.21259318    1     0.00000000
                         0.00742552
#
F GTH-HCTH120-q7 GTH-HCTH120
    2    5
     0.21555878    2   -21.21402136     3.11524496
    2  SOC
     0.19472662    1    23.68789289
     0.18667491    1     0.00000000
                         0.01250039
#
P GTH-HCTH120-q5 GTH-HCTH120
    2    3
     0.43000000    1    -5.55967117
    2  SOC
     0.39982658    2    10.60103244    -3.26897992
                                        4.22023493
     0.45131904    2     2.95015425     0.00000000
                                        0.00000000
                         0.02475754    -0.01949602
                                        0.02306800
#
Ar GTH-HCTH120-q8 GTH-HCTH120
    2    6
     0.40000000    1    -7.01660399
    2  SOC
     0.31726372    2    17.43470209    -5.68655497
                                        7.34131090
     0.35199759    2     4.99753699     0.00000000
                                        0.00000000
                         0.05686243    -0.03873012
                                        0.04582610
#
################################################################################
#
# HCTH407 functional
#
################################################################################
#
H GTH-HCTH407-q1 GTH-HCTH407
    1
     0.20000000    2    -4.17855435     0.72595112
    0  SOC
#
C GTH-HCTH407-q4 GTH-HCTH407
    2    2
     0.33895449    2    -8.64070432     1.35762517
    2  SOC
     0.30236220    1     9.59681173
     0.29159277    1     0.00000000
                         0.00206854
#
N GTH-HCTH407-q5 GTH-HCTH407
    2    3
     0.28580927    2   -12.16723704     1.85814414
    2  SOC
     0.25533910    1    13.60665370
     0.24645801    1     0.00000000
                         0.00409901
#
O GTH-HCTH407-q6 GTH-HCTH407
    2    4
     0.24634413    2   -16.39807931     2.45634724
    2  SOC
     0.22101140    1    18.29754812
     0.21441275    1     0.00000000
                         0.00725266
#
################################################################################
#
# PADE functional
#
################################################################################
#
H GTH-PADE-q1 GTH-LDA-q1 GTH-PADE GTH-LDA
    1
     0.20000000    2    -4.18023680     0.72507482
    0  SOC
#
He GTH-PADE-q2 GTH-LDA-q2 GTH-PADE GTH-LDA
    2
     0.20000000    2    -9.11202340     1.69836797
    0  SOC
#
Li GTH-PADE-q1 GTH-LDA-q1
    1
     0.78755305    2    -1.89261247     0.28605968
    2  SOC
     0.66637518    1     1.85881111
     1.07930561    1    -0.00589504
                         0.00001876
#
Li GTH-PADE-q3 GTH-LDA-q3 GTH-PADE GTH-LDA
    3
     0.40000000    4   -14.03486849     9.55347627    -1.76648817     0.08436998
    0  SOC
#
Be GTH-PADE-q2 GTH-LDA-q2
    2
     0.73900865    2    -2.59295078     0.35483893
    2  SOC
     0.52879656    1     3.06166591
     0.65815348    1     0.09246196
                         0.00012877
#
Be GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    4
     0.32500000    4   -24.01504092    17.20401444    -3.32639018     0.16541943
    0  SOC
#
B GTH-PADE-q3 GTH-LDA-q3 GTH-PADE GTH-LDA
    2    1
     0.43392956    2    -5.57864173     0.80425145
    2  SOC
     0.37384326    1     6.23392822
     0.36039317    1     0.00000000
                         0.00087786
#
C GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    2    2
     0.34883045    2    -8.51377110     1.22843203
    2  SOC
     0.30455321    1     9.52284179
     0.23267730    1     0.00000000
                         0.00410365
#
N GTH-PADE-q5 GTH-LDA-q5 GTH-PADE GTH-LDA
    2    3
     0.28917923    2   -12.23481988     1.76640728
    2  SOC
     0.25660487    1    13.55224272
     0.27013369    1     0.00000000
                         0.00313068
#
O GTH-PADE-q6 GTH-LDA-q6 GTH-PADE GTH-LDA
    2    4
     0.24762086    2   -16.58031797     2.39570092
    2  SOC
     0.22178614    1    18.26691718
     0.25682890    1     0.00000000
                         0.00447578
#
F GTH-PADE-q7 GTH-LDA-q7 GTH-PADE GTH-LDA
    2    5
     0.21852465    2   -21.30736112     3.07286942
    2  SOC
     0.19556721    1    23.58494211
     0.17426832    1     0.00000000
                         0.01510589
#
Ne GTH-PADE-q8 GTH-LDA-q8 GTH-PADE GTH-LDA
    2    6
     0.19000000    2   -27.69285182     4.00590585
    2  SOC
     0.17948804    2    28.50609828     0.41682800
                                       -1.07624528
     0.21491271    1    -0.00008991
                         0.01033644
#
Na GTH-PADE-q1 GTH-LDA-q1
    1
     0.88550938    1    -1.23886713
    2  SOC
     0.66110390    2     1.84727135    -0.22540903
                                        0.58200362
     0.85711928    1     0.47113258
                         0.00262341
#
Na GTH-PADE-q9 GTH-LDA-q9 GTH-PADE GTH-LDA
    3    6
     0.18000000    2    -8.85370596     3.96307828
    2  SOC
     0.14013284    1    38.78472127
     0.14830373    1    -7.64734059
                         0.03137689
#
Na GTH-PADE-q9_old GTH-LDA-q9_old
    3    6
     0.24631780    2    -7.54559253     1.12599671
    2  SOC
     0.14125125    1    36.55698653
     0.13966840    1   -10.39208332
                         0.03838599
#
Mg GTH-PADE-q10 GTH-LDA-q10 GTH-PADE GTH-LDA
    4    6
     0.21094954    2   -19.41900751     2.87133099
    2  SOC
     0.14154696    1    40.31662629
     0.10546902    1   -10.89111329
                         0.09627735
#
Mg GTH-PADE-q2 GTH-LDA-q2
    2
     0.65181169    1    -2.86429746
    2  SOC
     0.55647814    2     2.97095712    -0.51508390
                                        1.32994091
     0.67756881    1     1.04988101
                         0.00515157
#
Al GTH-PADE-q3 GTH-LDA-q3 GTH-PADE GTH-LDA
    2    1
     0.45000000    1    -8.49135116
    2  SOC
     0.46010427    2     5.08833953    -1.03784325
                                        2.67969975
     0.53674439    2     2.19343827     0.00000000
                                        0.00000000
                         0.00615404    -0.00166789
                                        0.00394694
#
Si GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    2    2
     0.44000000    1    -7.33610297
    2  SOC
     0.42273813    2     5.90692831    -1.26189397
                                        3.25819622
     0.48427842    2     2.72701346     0.00000000
                                        0.00000000
                         0.00037280    -0.00610073
                                        0.01443697
#
P GTH-PADE-q5 GTH-LDA-q5 GTH-PADE GTH-LDA
    2    3
     0.43000000    1    -6.65421981
    2  SOC
     0.38980284    2     6.84213556    -1.49369090
                                        3.85669332
     0.44079585    2     3.28260592     0.00000000
                                        0.00000000
                         0.00254425    -0.00756218
                                        0.01789537
#
S GTH-PADE-q6 GTH-LDA-q6 GTH-PADE GTH-LDA
    2    4
     0.42000000    1    -6.55449184
    2  SOC
     0.36175665    2     7.90530250    -1.73188130
                                        4.47169830
     0.40528502    2     3.86657900     0.00000000
                                        0.00000000
                         0.00537161    -0.00932309
                                        0.02206245
#
Cl GTH-PADE-q7 GTH-LDA-q7 GTH-PADE GTH-LDA
    2    5
     0.41000000    1    -6.86475431
    2  SOC
     0.33820832    2     9.06223968    -1.96193036
                                        5.06568240
     0.37613709    2     4.46587640     0.00000000
                                        0.00000000
                         0.01002014    -0.01089588
                                        0.02578435
#
Ar GTH-PADE-q8 GTH-LDA-q8 GTH-PADE GTH-LDA
    2    6
     0.40000000    1    -7.10000000
    2  SOC
     0.31738081    2    10.24948699    -2.16984522
                                        5.60251627
     0.35161921    2     4.97880101     0.00000000
                                        0.00000000
                         0.01639467    -0.01232694
                                        0.02917087
#
K GTH-PADE-q1 GTH-LDA-q1
    1
     0.95000000    0
    3  SOC
     0.95536395    3     0.91461200    -0.11136800    -0.07324712
                                        0.28755094     0.18912326
                                                      -0.30022386
     1.08641063    2     0.31546177    -0.02881726
                                        0.06819410
                        -0.00434261    -0.00433626
                                        0.01026146
     0.72060608    1    -1.52951361
                         0.00035395
#
K GTH-PADE-q9 GTH-LDA-q9 GTH-PADE GTH-LDA
    3    6
     0.40000000    2    -4.98934751    -0.75604821
    2  SOC
     0.29482550    2    11.23870466    -2.73733893
                                        7.06777871
     0.32235865    2     5.25670239    -0.39677748
                                        0.93894690
                         0.01579489    -0.02067379
                                        0.04892313
#
Ca GTH-PADE-q10 GTH-LDA-q10 GTH-PADE GTH-LDA
    4    6
     0.39000000    2    -4.92814602    -1.23285409
    3  SOC
     0.28190948    2    12.35233956    -2.96571964
                                        7.65745518
     0.31034528    2     5.72242348    -0.39028860
                                        0.92359141
                         0.02170091    -0.02394376
                                        0.05666128
     0.90433011    1     0.01680633
                         0.00037106
#
Ca GTH-PADE-q2 GTH-LDA-q2
    2
     0.80000000    0
    3  SOC
     0.66973721    3     1.64501442    -0.59004546     0.07221571
                                        1.52349082    -0.18646017
                                                       0.29599634
     0.94647402    2     0.58547893    -0.05338365
                                        0.12632878
                        -0.00336201    -0.00540007
                                        0.01277891
     0.52654998    1    -3.03232095
                         0.00081449
#
Sc GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    4    6    1
     0.38500000    2     7.42503638    -0.48985155
    3  SOC
     0.35970653    2     6.11958455     0.99282105
                                       -2.56345293
     0.24323416    2     6.37661838     2.54239924
                                       -6.01641469
                         0.08305262    -0.03930672
                                        0.09301668
     0.25294463    1    -8.02089177
                         0.00481191
#
Sc GTH-PADE-q3 GTH-LDA-q3
    2    0    1
     0.75000000    0
    3  SOC
     0.59707941    3     1.83576833    -0.67169514     0.34607449
                                        1.73430939    -0.89356049
                                                       1.41848330
     0.84799438    2     0.78412669    -0.10426371
                                        0.24673297
                        -0.00846271    -0.00883730
                                        0.02091287
     0.45465318    1    -3.85924078
                         0.00142986
#
Ti GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    4    6    2
     0.38000000    2     7.54878947    -0.58837666
    3  SOC
     0.33423466    2     6.92573970     1.21689330
                                       -3.14200499
     0.24241582    2     5.07908650     2.65559321
                                       -6.28428053
                         0.12239544    -0.02427591
                                        0.05744728
     0.24294750    1    -9.12589591
                         0.00582242
#
Ti GTH-PADE-q4 GTH-LDA-q4
    2    0    2
     0.72000000    0
    3  SOC
     0.52841076    3     1.86661330    -0.55779994     0.89250253
                                        1.44023325    -2.30443161
                                                       3.65817177
     0.79114554    2     0.96791577    -0.11016023
                                        0.26068669
                        -0.00933253    -0.01068729
                                        0.02529075
     0.40871178    1    -4.82645635
                         0.00200953
#
V GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    4    6    3
     0.37500000    2     4.94129058    -0.09644336
    3  SOC
     0.32665112    2     7.65939048     1.50745391
                                       -3.89222925
     0.24640748    2     4.25623049     2.51062024
                                       -5.94121187
                         0.15640785    -0.00339312
                                        0.00802959
     0.24079150    1    -8.82851757
                         0.00654774
#
V GTH-PADE-q5 GTH-LDA-q5
    2    0    3
     0.69000000    0
    3  SOC
     0.51470421    3     2.20866978    -0.73461318     0.75055919
                                        1.89676307    -1.93793550
                                                       3.07637723
     0.74350381    2     1.11575121    -0.12113126
                                        0.28664887
                        -0.01097329    -0.01302199
                                        0.03081565
     0.37488959    1    -5.84163317
                         0.00271707
#
Cr GTH-PADE-q14 GTH-LDA-q14 GTH-PADE GTH-LDA
    3    6    5
     0.37000000    2     5.11336166    -0.64681932
    3  SOC
     0.30601140    2     8.61783515     1.60252229
                                       -4.13769475
     0.24108964    2     3.16158758     2.12679104
                                       -5.03290619
                         0.16978070    -0.00017378
                                        0.00041123
     0.21957702    1   -11.15786828
                         0.00900712
#
Cr GTH-PADE-q6 GTH-LDA-q6
    1    0    5
     0.66000000    0
    3  SOC
     0.49857767    3     2.40075556    -0.80261251     0.72025801
                                        2.07233658    -1.85969818
                                                       2.95217934
     0.71976824    2     1.14555658    -0.11757619
                                        0.27823604
                        -0.01317649    -0.01505450
                                        0.03562545
     0.35434060    1    -6.61587832
                         0.00351409
#
Mn GTH-PADE-q15 GTH-LDA-q15 GTH-PADE GTH-LDA
    4    6    5
     0.36500000    2     6.74868332    -0.57656900
    3  SOC
     0.28075266    2     9.37953150     2.15929667
                                       -5.57528002
     0.25453567    2     0.37117568     1.78710271
                                       -4.22905690
                         0.16418798     0.01664776
                                       -0.03939579
     0.22142210    1   -12.11538453
                         0.00958994
#
Mn GTH-PADE-q7 GTH-LDA-q7
    2    0    5
     0.64000000    0
    3  SOC
     0.48124608    3     2.79903057    -0.96286281     0.62594958
                                        2.48610107    -1.61619487
                                                       2.56562982
     0.66930432    2     1.36877564    -0.13385695
                                        0.31676337
                        -0.01368526    -0.01814464
                                        0.04293805
     0.32776314    1    -7.99541784
                         0.00453641
#
Fe GTH-PADE-q16 GTH-LDA-q16 GTH-PADE GTH-LDA
    4    6    6
     0.36000000    2     5.39250667    -0.03006638
    3  SOC
     0.26926810    2    10.19372276     2.64717717
                                       -6.83498206
     0.24768563    2     0.14561261     2.21217195
                                       -5.23495429
                         0.20145020     0.03204342
                                       -0.07582857
     0.22302105    1   -12.02694100
                         0.01032228
#
Fe GTH-PADE-q8 GTH-LDA-q8
    2    0    6
     0.61000000    0
    3  SOC
     0.45448200    3     3.01664046    -1.00040646     0.79478164
                                        2.58303836    -2.05211737
                                                       3.25763534
     0.63890282    2     1.49964199    -0.13812935
                                        0.32687369
                        -0.01490858    -0.02104142
                                        0.04979310
     0.30873177    1    -9.14535371
                         0.00572210
#
Co GTH-PADE-q17 GTH-LDA-q17 GTH-PADE GTH-LDA
    4    6    7
     0.35500000    2     3.41839094     0.48207820
    3  SOC
     0.25914047    2    11.19522589     3.03867482
                                       -7.84582466
     0.25142451    2    -0.55146375     1.96043558
                                       -4.63923731
                         0.20791470     0.04574353
                                       -0.10824895
     0.22166454    1   -12.07535366
                         0.01147529
#
Co GTH-PADE-q9 GTH-LDA-q9
    2    0    7
     0.58000000    0
    3  SOC
     0.44045735    3     3.33497825    -1.11276628     0.75413362
                                        2.87315017    -1.94716465
                                                       3.09102805
     0.61004847    2     1.63400481    -0.15047260
                                        0.35608316
                        -0.01752129    -0.02483306
                                        0.05876575
     0.29166058    1   -10.35880017
                         0.00713682
#
Ni GTH-PADE-q10 GTH-LDA-q10
    2    0    8
     0.56000000    0
    3  SOC
     0.42539870    3     3.61965071    -1.19635099     0.74622158
                                        3.08896496    -1.92673583
                                                       3.05859831
     0.58408076    2     1.74222007    -0.16325873
                                        0.38634067
                        -0.02038398    -0.02906079
                                        0.06877038
     0.27811348    1   -11.60842823
                         0.00870832
#
Ni GTH-PADE-q18 GTH-LDA-q18 GTH-PADE GTH-LDA
    4    6    8
     0.35000000    2     3.61031072     0.44963832
    3  SOC
     0.24510489    2    12.16113071     3.51625420
                                       -9.07892931
     0.23474136    2    -0.82062357     2.54774737
                                       -6.02907069
                         0.26957208     0.06061531
                                       -0.14344200
     0.21494950    1   -13.39506212
                         0.01353850
#
Cu GTH-PADE-q1 GTH-LDA-q1
    1
     0.58000000    0
    3  SOC
     0.84328288    3     0.97578662     0.31838619    -0.03250652
                                       -0.82206962     0.08393147
                                                      -0.13323707
     1.08954266    2     0.02457986     0.10522210
                                       -0.24900093
                         0.01079247     0.00284563
                                       -0.00673399
     1.29160225    1    -0.06529209
                        -0.00073000
#
Cu GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    1    0   10
     0.53000000    0
    3  SOC
     0.42373431    3     3.88805001    -1.26901549     0.55872509
                                        3.27658391    -1.44262198
                                                       2.29009139
     0.57217697    2     1.75127242    -0.15844220
                                        0.37494269
                        -0.02406730    -0.03231927
                                        0.07648136
     0.26614275    1   -12.67695749
                         0.01048914
#
Cu GTH-PADE-q19 GTH-LDA-q19
    3    6   10
     0.34500000    2     0.38158866     1.38680111
    3  SOC
     0.25131927    2     0.03400360    11.19862293
                                      -14.45736004
     0.22038147    2   -14.27160096    16.04403507
                                      -18.98355830
                         0.13410535     0.21399818
                                       -0.25320605
     0.21773897    1   -12.50830997
                         0.01450302
#
Zn GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    2    0   10
     0.51000000    0
    3  SOC
     0.40086620    3     4.27870973    -1.40486350     0.69522313
                                        3.62734196    -1.79505840
                                                       2.84956686
     0.53961806    2     2.02388400    -0.18244417
                                        0.43174171
                        -0.02575928    -0.03841864
                                        0.09091511
     0.25215059    1   -14.33836841
                         0.01276688
#
Zn GTH-PADE-q2 GTH-LDA-q2
    2
     0.57000000    0
    3  SOC
     0.64071219    3     2.08855724     0.08453570    -0.22965773
                                       -0.21827024     0.59297371
                                                      -0.94131659
     0.96760483    2     0.16354600     0.09596150
                                       -0.22708635
                         0.01213948     0.00206035
                                       -0.00487568
     1.33035200    1     0.01048578
                         0.00022546
#
Zn GTH-PADE-q20 GTH-LDA-q20
    4    6   10
     0.34000000    2    -0.62164886     1.27422289
    3  SOC
     0.23892824    2     0.30844368    12.35877752
                                      -15.95511318
     0.23960139    2    -9.43744220     8.39596370
                                       -9.93423822
                         0.06195779     0.19739272
                                       -0.23355822
     0.20656246    1   -14.03217427
                         0.01770736
#
Ga GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    2    1   10
     0.49000000    0
    3  SOC
     0.39530156    3    12.45703651    -7.08541671     1.84712738
                                       12.15158654    -4.76926238
                                                       3.78548466
     0.58085441    2     1.57898606     0.32869270
                                       -0.38891444
                         0.07436967    -0.04610490
                                        0.05455205
     0.23908100    1   -16.13575103
                         0.01550429
#
Ga GTH-PADE-q3 GTH-LDA-q3
    2    1
     0.56000000    0
    3  SOC
     0.61079074    3     2.36932516     0.09644314    -0.13462450
                                       -0.24901512     0.34759896
                                                      -0.55179624
     0.70459583    2     0.74630529     0.21683799
                                       -0.51313234
                         0.02960710     0.00036899
                                       -0.00087320
     0.98257967    1     0.07543656
                         0.00148617
#
Ge GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    2    2
     0.54000000    0
    3  SOC
     0.49374254    3     3.82689099    -0.42611775    -0.32795553
                                        1.10023129     0.84677753
                                                      -1.34421765
     0.60106438    2     1.36251781     0.26511216
                                       -0.62736987
                         0.04398121    -0.00414190
                                        0.00980152
     0.78836851    1     0.19120485
                         0.00291785
#
As GTH-PADE-q5 GTH-LDA-q5 GTH-PADE GTH-LDA
    2    3
     0.52000000    0
    3  SOC
     0.45640025    3     4.56076106    -0.65545935    -0.33517391
                                        1.69238876     0.86541531
                                                      -1.37380421
     0.55056168    2     1.81224664     0.27329186
                                       -0.64672658
                         0.05246616    -0.00868894
                                        0.02056179
     0.68528272    1     0.31237276
                         0.00427335
#
Se GTH-PADE-q6 GTH-LDA-q6 GTH-PADE GTH-LDA
    2    4
     0.51000000    0
    3  SOC
     0.43253108    3     5.14513084    -0.79473967    -0.33405137
                                        2.05200900     0.86251693
                                                      -1.36920317
     0.47247252    2     2.85880607     0.24960384
                                       -0.59067050
                         0.06219585    -0.02742836
                                        0.06490734
     0.61342013    1     0.43482888
                         0.00578395
#
Br GTH-PADE-q7 GTH-LDA-q7 GTH-PADE GTH-LDA
    2    5
     0.50000000    0
    3  SOC
     0.42820734    3     5.39883713    -0.70499608    -0.32301656
                                        1.82029205     0.83402517
                                                      -1.32397392
     0.45532308    2     3.10882269     0.26715405
                                       -0.63220188
                         0.07400663    -0.02906775
                                        0.06878684
     0.55784727    1     0.55590294
                         0.00714446
#
Kr GTH-PADE-q8 GTH-LDA-q8 GTH-PADE GTH-LDA
    2    6
     0.50000000    0
    3  SOC
     0.41075893    3     5.91119429    -0.76196004    -0.35573234
                                        1.96737236     0.91849694
                                                      -1.45806869
     0.43025641    2     3.52435692     0.29208431
                                       -0.69119763
                         0.08701098    -0.03634480
                                        0.08600750
     0.51712005    1     0.62922850
                         0.00926681
#
Rb GTH-PADE-q1 GTH-LDA-q1
    1
     1.09620685    2     0.84733274    -0.74812032
    3  SOC
     0.95569909    3     0.88746022    -0.34976454    -0.00164684
                                        0.90308815     0.00425212
                                                      -0.00675003
     1.15668058    2     0.46173448    -0.14203355
                                        0.33611273
                        -0.04344330    -0.02445691
                                        0.05787561
     0.66432256    1    -1.36293829
                         0.00370757
#
Rb GTH-PADE-q9 GTH-LDA-q9 GTH-PADE GTH-LDA
    3    6
     0.49000000    2     4.50415106    -0.74101810
    3  SOC
     0.28230077    2     9.53632920    -3.67415744
                                        9.48663373
     0.30188614    2     2.20959243    -2.31371511
                                        5.47524928
                        -0.86737860    -0.52295274
                                        1.23753204
     0.51489528    1     0.44937574
                         0.00868497
#
Sr GTH-PADE-q10 GTH-LDA-q10 GTH-PADE GTH-LDA
    4    6
     0.48000000    2     5.57145509    -1.07996304
    3  SOC
     0.27544056    2     9.99513531    -3.61608019
                                        9.33667892
     0.30224313    2     3.16912572    -1.71111259
                                        4.04923144
                        -0.57626460    -0.41837761
                                        0.99006212
     0.50204544    1     0.43872821
                         0.00899140
#
Sr GTH-PADE-q2 GTH-LDA-q2
    2
     1.01000000    2     0.68474888    -0.06212465
    3  SOC
     0.83756431    3     1.20039504    -0.35889978    -0.07706135
                                        0.92667525     0.19897155
                                                      -0.31585755
     1.17417825    2     0.43998339    -0.00771915
                                        0.01826685
                         0.00402188    -0.00938423
                                        0.02220714
     0.74317548    1    -1.38699026
                         0.00284555
#
Y GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    4    6    1
     0.47500000    2     6.89262113    -1.44841137
    3  SOC
     0.25929613    2    11.06849407    -4.05874563
                                       10.47963616
     0.28851147    2     3.01907548    -1.80967899
                                        4.28248210
                        -0.68452714    -0.49749106
                                        1.17727871
     0.50364209    2     0.33991901    -0.00795600
                                        0.01804251
                         0.01045632     0.00135148
                                       -0.00306487
#
Y GTH-PADE-q3 GTH-LDA-q3
    2    0    1
     0.90000000    1    -0.34389132
    3  SOC
     0.78245699    3     1.52065466    -0.57489340    -0.04611453
                                        1.48436836     0.11906721
                                                      -0.18901334
     0.94986375    2     0.78095000    -0.15582064
                                        0.36873894
                        -0.04333632    -0.03380154
                                        0.07998905
     0.65385060    2    -1.25692979     0.03323415
                                       -0.07536797
                         0.00919822     0.00514005
                                       -0.01165653
#
Zr GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    4    6    2
     0.47000000    2     6.34261837    -1.73217100
    3  SOC
     0.26250960    2    11.10177456    -3.71411720
                                        9.58980939
     0.28881376    2     3.44681955    -1.78708731
                                        4.22902044
                        -0.51261281    -0.44782121
                                        1.05973841
     0.58825239    2     0.33463695     0.08621617
                                       -0.19551990
                         0.00756230     0.00237820
                                       -0.00539325
#
Zr GTH-PADE-q4 GTH-LDA-q4
    2    0    2
     0.75000000    1    -0.78261098
    3  SOC
     0.64999821    3     1.73987747    -0.92494916     0.29407499
                                        2.38820846    -0.75929835
                                                       1.20534876
     0.87440769    2     1.01829381    -0.22321509
                                        0.52822332
                        -0.05748649    -0.04415700
                                        0.10449452
     0.63066761    2    -1.17391057    -0.09356197
                                        0.21217861
                         0.00938027     0.00527960
                                       -0.01197300
#
Nb GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    3    6    4
     0.46000000    2    13.50539360     0.75243372
    3  SOC
     0.39370802    2     3.22202457     1.78131738
                                       -4.59934171
     0.40362557    2    -0.82203677     0.94968536
                                       -2.24736575
                         0.24682052     0.03662021
                                       -0.08665924
     0.51364405    2    -1.48984771    -0.36326930
                                        0.82381733
                         0.01406431     0.00531597
                                       -0.01205549
#
Nb GTH-PADE-q5 GTH-LDA-q5
    1    0    4
     0.72400000    1     4.02105754
    3  SOC
     0.69970828    2     1.53265135    -0.55316427
                                        1.42826399
     0.84667164    2     0.60967518    -0.25218878
                                        0.59678759
                        -0.08081558    -0.05292491
                                        0.12524320
     0.51607226    2    -2.69682993     0.74741000
                                       -1.69496657
                         0.02565344     0.01390823
                                       -0.03154090
#
Mo GTH-PADE-q14 GTH-LDA-q14 GTH-PADE GTH-LDA
    3    6    5
     0.43000000    2    16.23745228     1.49653613
    3  SOC
     0.37625527    2     3.36242551     2.04852792
                                       -5.28927635
     0.36173435    2    -0.37957075     1.71892268
                                       -4.06771350
                         0.37868133     0.05263679
                                       -0.12456138
     0.52582812    2    -1.54321130    -0.47376044
                                        1.07438769
                         0.01445963     0.00651263
                                       -0.01476925
#
Mo GTH-PADE-q6 GTH-LDA-q6
    1    0    5
     0.69900000    1     7.99586821
    3  SOC
     0.67812595    2     1.28960728    -0.38656751
                                        0.99811301
     0.80077140    2     0.30141226    -0.31338933
                                        0.74161451
                        -0.10412389    -0.06503729
                                        0.15390632
     0.45338393    2    -2.80970771     3.00775463
                                       -6.82094635
                         0.06897223     0.03333236
                                       -0.07559069
#
Tc GTH-PADE-q15 GTH-LDA-q15 GTH-PADE GTH-LDA
    3    6    6
     0.43000001    2    14.91001129     1.04638147
    3  SOC
     0.36972111    2     3.91740844     2.04044213
                                       -5.26839892
     0.35777235    2    -0.27000007     1.57949660
                                       -3.73777116
                         0.34079130     0.02786799
                                       -0.06594771
     0.51048733    2    -1.58670910    -0.49930056
                                        1.13230724
                         0.01578982     0.00726905
                                       -0.01648465
#
Tc GTH-PADE-q7 GTH-LDA-q7
    1    0    6
     0.67300000    1    13.31538067
    3  SOC
     0.67761188    2     0.81921767    -0.13495786
                                        0.34845968
     0.78427538    2     0.02867266    -0.27820911
                                        0.65836292
                        -0.08075975    -0.05944302
                                        0.14066787
     0.51988975    2    -5.98422427    -0.31829379
                                        0.72182246
                         0.02602474     0.01842157
                                       -0.04177619
#
Ru GTH-PADE-q16 GTH-LDA-q16 GTH-PADE GTH-LDA
    3    6    7
     0.43000000    2    13.58257130     0.59622675
    3  SOC
     0.36408374    2     4.48063220     2.04055059
                                       -5.26867898
     0.36405317    2    -0.32037214     1.29296495
                                       -3.05971353
                         0.33732182     0.04372298
                                       -0.10346747
     0.49585036    2    -1.59787017    -0.51393501
                                        1.16549505
                         0.01777313     0.00869809
                                       -0.01972541
#
Ru GTH-PADE-q8 GTH-LDA-q8
    1    0    7
     0.64721429    1     8.68772333
    3  SOC
     0.62565612    2     1.63786602    -0.51484914
                                        1.32933477
     0.74642487    2     0.63901157    -0.27483407
                                        0.65037612
                        -0.09545431    -0.06941124
                                        0.16425697
     0.44035802    2    -4.88336495     1.35098513
                                       -3.06374629
                         0.04665238     0.02725483
                                       -0.06180814
#
Rh GTH-PADE-q17 GTH-LDA-q17 GTH-PADE GTH-LDA
    3    6    8
     0.42000000    2    15.22501231     0.41591145
    3  SOC
     0.35005185    2     4.71529244     2.24847003
                                       -5.80552464
     0.35025339    2    -0.50469386     1.42536937
                                       -3.37303956
                         0.38962932     0.05191608
                                       -0.12285587
     0.49694980    2    -1.68559431    -0.61192127
                                        1.38770701
                         0.01887482     0.01007017
                                       -0.02283699
#
Rh GTH-PADE-q9 GTH-LDA-q9
    1    0    8
     0.62142857    1     5.39796233
    3  SOC
     0.59807881    2     2.24211131    -0.83330981
                                        2.15159669
     0.70958567    2     1.15527830    -0.29785195
                                        0.70484635
                        -0.11435695    -0.08194750
                                        0.19392318
     0.36920687    2    -1.05305819     4.81701344
                                      -10.92395969
                         0.13503645     0.05633249
                                       -0.12775008
#
Pd GTH-PADE-q10 GTH-LDA-q10
    0    0   10
     0.59600000    1     5.20966476
    3  SOC
     0.58220422    2     2.41107608    -0.89811395
                                        2.31892024
     0.68878713    2     1.22725330    -0.32032214
                                        0.75802053
                        -0.13690890    -0.09330707
                                        0.22080482
     0.44283523    2    -4.37713124    -0.18223540
                                        0.41327105
                         0.03379697     0.02107700
                                       -0.04779814
#
Pd GTH-PADE-q18 GTH-LDA-q18 GTH-PADE GTH-LDA
    2    6   10
     0.41000000    2    15.72025922     0.14076508
    3  SOC
     0.34215063    2     5.17768606     2.26678707
                                       -5.85281906
     0.34311064    2    -0.37256076     1.37706395
                                       -3.25872809
                         0.40698386     0.04680631
                                       -0.11076394
     0.49491624    2    -1.60827298    -0.63789470
                                        1.44660922
                         0.02037404     0.01178781
                                       -0.02673224
#
Ag GTH-PADE-q1 GTH-LDA-q1
    1
     0.65000000    1    -2.37606096
    3  SOC
     1.01270456    3     0.89793134     0.28982424     0.00726736
                                       -0.74832297    -0.01876424
                                                       0.02978730
     1.23584202    2     0.13008068     0.11726324
                                       -0.27749548
                         0.01969167     0.00288247
                                       -0.00682116
     1.01615913    1    -0.03884235
                         0.00945505
#
Ag GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    1    0   10
     0.57000000    1     1.01705324
    3  SOC
     0.49890039    3     2.99028401    -1.51526425     0.53817162
                                        3.91239548    -1.38955314
                                                       2.20584723
     0.63000853    2     1.81396786    -0.55123072
                                        1.30444997
                        -0.20186901    -0.13510134
                                        0.31970813
     0.38765955    2    -3.42007573     0.44975502
                                       -1.01994852
                         0.04519317     0.02273792
                                       -0.05156476
#
Ag GTH-PADE-q19 GTH-LDA-q19
    3    6   10
     0.40000000    2    26.10213544    -5.21734352
    3  SOC
     0.30814467    2     1.55692822     3.68811443
                                       -4.76133525
     0.42100419    2     0.24550848    -0.89060050
                                        1.05377272
                        -0.26670728     0.68349949
                                       -0.80872750
     0.44722234    2     1.87011922    -3.09368795
                                        3.50791241
                        -0.03218230     0.06201267
                                       -0.07031576
#
Cd GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    2    0   10
     0.55000000    1     2.38271306
    3  SOC
     0.49150479    3     3.20793247    -1.60378823     0.38651363
                                        4.14096341    -0.99797390
                                                       1.58423446
     0.59856481    2     1.94014994    -0.64058146
                                        1.51589242
                        -0.24140932    -0.15923958
                                        0.37682962
     0.37787436    2    -4.19007193     0.33960669
                                       -0.77015558
                         0.04932879     0.02594377
                                       -0.05883495
#
Cd GTH-PADE-q2 GTH-LDA-q2
    2
     0.62500000    1    -1.79683799
    3  SOC
     0.82846467    3     1.48529241     0.16450606    -0.09953846
                                       -0.42475283     0.25700719
                                                      -0.40798627
     0.97287254    2     0.46920843     0.18936149
                                       -0.44811107
                         0.03771366     0.00084877
                                       -0.00200856
     1.24094900    1     0.06541164
                         0.00310866
#
In GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    2    1   10
     0.53000000    1     2.39540385
    3  SOC
     0.47408054    3     3.55441064    -1.84126870     0.38183068
                                        4.75413535    -0.98588258
                                                       1.56504008
     0.55981945    2     2.22366425    -0.86006177
                                        2.03527762
                        -0.30648842    -0.20259839
                                        0.47943530
     0.36048751    2    -4.56641372     0.34120718
                                       -0.77378515
                         0.05876513     0.03237261
                                       -0.07341418
#
In GTH-PADE-q3 GTH-LDA-q3
    2    1
     0.61000000    1     2.86577676
    3  SOC
     0.77060197    3     1.25619360     0.15385620    -0.06790534
                                       -0.39725499     0.17533083
                                                      -0.27832906
     0.85813160    2     0.49445864     0.16091263
                                       -0.38078878
                         0.06636653     0.00235065
                                       -0.00556265
     1.08869090    1     0.12920778
                         0.00444800
#
Sn GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    2    2
     0.60500000    1     4.61091234
    3  SOC
     0.66354369    3     1.64879146     0.05498623    -0.14066273
                                       -0.14197384     0.36318961
                                                      -0.57654563
     0.74586492    2     0.76935544     0.18807652
                                       -0.44507028
                         0.10393057    -0.00213712
                                        0.00505735
     0.94445897    1     0.22511508
                         0.00706571
#
Sb GTH-PADE-q5 GTH-LDA-q5 GTH-PADE GTH-LDA
    2    3
     0.59000000    1     6.68022783
    3  SOC
     0.59768356    3     1.95147672    -0.01453812    -0.19191821
                                        0.03753727     0.49553069
                                                      -0.78663058
     0.67212205    2     0.97031285     0.19722998
                                       -0.46673132
                         0.13922153    -0.00993605
                                        0.02351298
     0.85655729    1     0.30010262
                         0.00943232
#
Te GTH-PADE-q6 GTH-LDA-q6 GTH-PADE GTH-LDA
    2    4
     0.57500000    1     9.38708481
    3  SOC
     0.55645602    3     2.04689031     0.01136047    -0.21497109
                                       -0.02933260     0.55505297
                                                      -0.88111927
     0.61526187    2     1.03347754     0.20333245
                                       -0.48117240
                         0.17299713    -0.02139985
                                        0.05064130
     0.80510072    1     0.31741073
                         0.01080862
#
I GTH-PADE-q7 GTH-LDA-q7 GTH-PADE GTH-LDA
    2    5
     0.56000000    1    14.66182521
    3  SOC
     0.55283008    3     1.33805374     0.32333643    -0.11404312
                                       -0.83485108     0.29445806
                                                      -0.46743768
     0.56225147    2     0.67449617     0.24415947
                                       -0.57778676
                         0.21396743    -0.03943200
                                        0.09331314
     0.79432495    1     0.22434543
                         0.01018039
#
Xe GTH-PADE-q8 GTH-LDA-q8 GTH-PADE GTH-LDA
    2    6
     0.56000000    1    12.73427972
    3  SOC
     0.50737118    3     2.23645069     0.15629453    -0.27630331
                                       -0.40355073     0.71341207
                                                      -1.13250655
     0.54102371    2     1.13004299     0.31810091
                                       -0.75276413
                         0.23660318    -0.04583840
                                        0.10847345
     0.72982111    1     0.28013078
                         0.01336223
#
Cs GTH-PADE-q1 GTH-LDA-q1
    1
     1.20000000    0
    3  SOC
     1.22473727    3     0.61152657    -0.09288578    -0.07173455
                                        0.23983005     0.18521782
                                                      -0.29402418
     1.28047759    2     0.24489277    -0.09604275
                                        0.22727863
                        -0.10762747    -0.05837136
                                        0.13813185
     1.10752212    1    -0.54216260
                         0.00325918
#
Cs GTH-PADE-q9 GTH-LDA-q9 GTH-PADE GTH-LDA
    3    6
     0.54000000    2    35.23443810    -3.31807009
    4  SOC
     0.45682103    2    -0.28237849     1.07705949
                                       -2.78095565
     0.36246700    3    -2.69673321     0.96809883     0.00000000
                                       -2.29093996     0.00000000
                                                       0.00000000
                        -2.74852756    -0.76700684     0.35818758
                                        1.81506946    -0.84762652
                                                       1.20482534
     0.76146205    1     0.18375440
                         0.01084084
     0.33350703    1   -17.94825944
                         0.00475984
#
Ba GTH-PADE-q10 GTH-LDA-q10 GTH-PADE GTH-LDA
    4    6
     0.54000000    2    24.47865325    -2.50084994
    4  SOC
     0.51477613    2     1.04672903     0.37847454
                                       -0.97721707
     0.37519011    3    -0.20243912    -0.28749217     0.00000000
                                        0.68033065     0.00000000
                                                       0.00000000
                        -0.41508327    -0.25344615     0.27561093
                                        0.59976305    -0.65221449
                                                       0.92706460
     0.66540319    1     0.37841850
                         0.01766026
     0.30492043    1   -18.79520777
                         0.00615085
#
Ba GTH-PADE-q2 GTH-LDA-q2
    2
     1.20000000    0
    3  SOC
     1.01618684    3     0.92259259    -0.29570030    -0.08135711
                                        0.76349489     0.21006316
                                                      -0.33346493
     1.24987991    2     0.44716820    -0.06384326
                                        0.15108073
                        -0.04101721    -0.03752472
                                        0.08879970
     0.93715823    1    -0.71893382
                         0.00532055
#
La GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    4    6    1
     0.53500000    2    19.90930823    -1.47483023
    4  SOC
     0.55177542    2     1.29327192     0.43447877
                                       -1.12181937
     0.47630806    3     1.17252682     0.35023609     0.00887640
                                       -0.82880986    -0.02100539
                                                       0.02985728
                         0.52462281     0.01305818     0.04223862
                                       -0.03090129    -0.09995482
                                                       0.14207685
     0.62667220    1     0.32837704
                         0.02089998
     0.29931017    1   -18.26943896
                         0.00719271
#
Ce GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    4    6    1    1
     0.53500000    2    18.26801534    -0.63048034
    4  SOC
     0.52642558    2    -0.68453554     1.78656499
                                       -2.30644548
     0.49085089    3    -1.02722427     1.53667473     0.00000000
                                       -1.81821806     0.00000000
                                                       0.00000000
                         0.55905862    -0.30893198     0.22367871
                                        0.73792420    -0.52932045
                                                       0.37619085
     0.69222809    1     0.06340682
                         0.01403180
     0.30390134    1   -17.54564801
                         0.00781271
#
Pr GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    4    6    0    3
     0.53208333    2    18.42473909    -0.65766893
    4  SOC
     0.52684996    2     1.01262106     0.66537143
                                       -1.71798165
     0.45889736    3     1.11706004     0.78265878     0.00000000
                                       -1.85210872     0.00000000
                                                       0.00000000
                         0.31427984    -0.14831690    -0.04912915
                                        0.35098185     0.11626078
                                                      -0.16525431
     0.74760989    1     0.01757109
                         0.01090482
     0.30077296    1   -17.89711891
                         0.00854696
#
Nd GTH-PADE-q14 GTH-LDA-q14 GTH-PADE GTH-LDA
    4    6    0    4
     0.52916670    2    17.81503043    -0.59479767
    4  SOC
     0.50299986    2     1.52910988     0.83413680
                                       -2.15373194
     0.46701290    3     0.72155346     0.69619548     0.00000000
                                       -1.64749920     0.00000000
                                                       0.00000000
                        -0.21439589    -0.46502350    -0.24754787
                                        1.10044645     0.58580517
                                                      -0.83266969
     0.32528958    1    -0.54324017
                         0.61141305
     0.29474281    1   -18.52022760
                         0.00959761
#
Pm GTH-PADE-q15 GTH-LDA-q15 GTH-PADE GTH-LDA
    4    6    0    5
     0.52625000    2    18.25172292    -0.49210744
    4  SOC
     0.48987856    2     1.30897757     0.97124774
                                       -2.50775088
     0.47226016    3     0.16051238     0.66146221     0.00000000
                                       -1.56530527     0.00000000
                                                       0.00000000
                        -0.33995543    -0.57428953    -0.34066424
                                        1.35901707     0.80615873
                                                      -1.14588259
     0.47370914    1    -0.42995241
                         0.06404352
     0.29152653    1   -19.30505668
                         0.01061852
#
Sm GTH-PADE-q16 GTH-LDA-q16 GTH-PADE GTH-LDA
    4    6    0    6
     0.52333337    2    17.20679172    -0.53280292
    4  SOC
     0.47967676    2     1.72363519     1.02996853
                                       -2.65936731
     0.49059775    3    -0.08240311     0.46948681     0.00000000
                                       -1.11100858     0.00000000
                                                       0.00000000
                        -0.24029994    -0.50745883    -0.31336038
                                        1.20086678     0.74154601
                                                      -1.05404138
     0.47084026    1    -0.41063034
                         0.06335216
     0.28404049    1   -19.98429201
                         0.01192432
#
Eu GTH-PADE-q17 GTH-LDA-q17 GTH-PADE GTH-LDA
    4    6    0    7
     0.52041668    2    17.37351625    -0.64846778
    4  SOC
     0.46904261    2     1.76363790     1.12972280
                                       -2.91693172
     0.44590722    3     0.51804594     0.90228057     0.00000000
                                       -2.13518554     0.00000000
                                                       0.00000000
                         0.25225840    -0.24692195    -0.14287549
                                        0.58432399     0.33810512
                                                      -0.48058621
     0.49003840    1    -0.42611996
                         0.05102753
     0.27840129    1   -20.94652763
                         0.01326718
#
Gd GTH-PADE-q18 GTH-LDA-q18 GTH-PADE GTH-LDA
    4    6    0    8
     0.51750004    2    17.51255640    -0.71953420
    4  SOC
     0.46201372    2     1.55185591     1.18850339
                                       -3.06870256
     0.45695327    3    -0.05834713     0.71741382     0.00000000
                                       -1.69771095     0.00000000
                                                       0.00000000
                         0.53553977    -0.00930685    -0.01614340
                                        0.02202404     0.03820226
                                                      -0.05430110
     0.48236813    1    -0.56260077
                         0.05312761
     0.27338980    1   -21.92349011
                         0.01466612
#
Tb GTH-PADE-q19 GTH-LDA-q19 GTH-PADE GTH-LDA
    4    6    0    9
     0.51458335    2    17.60361623    -0.82808004
    4  SOC
     0.44869439    2     1.71848088     1.33046245
                                       -3.43523929
     0.42422013    3     0.56239978     1.17553634     0.00000000
                                       -2.78182671     0.00000000
                                                       0.00000000
                        -0.00872499    -0.48343103    -0.25579926
                                        1.14400661     0.60533153
                                                      -0.86042467
     0.48280866    1    -0.62580219
                         0.05175355
     0.26825995    1   -22.91169709
                         0.01619671
#
Dy GTH-PADE-q20 GTH-LDA-q20 GTH-PADE GTH-LDA
    4    6    0   10
     0.51166666    2    16.99433138    -0.95529792
    4  SOC
     0.44059045    2     1.94031950     1.37870375
                                       -3.55979777
     0.43464206    3     0.01431536     0.86469335     0.00000000
                                       -2.04623793     0.00000000
                                                       0.00000000
                        -0.12437116    -0.56093057    -0.32468735
                                        1.32740399     0.76835051
                                                      -1.09214158
     0.46722880    1    -0.66892417
                         0.05828571
     0.26167045    1   -23.92235817
                         0.01793827
#
Ho GTH-PADE-q21 GTH-LDA-q21 GTH-PADE GTH-LDA
    4    6    0   11
     0.50875002    2    16.78157003    -1.17351448
    4  SOC
     0.43221176    2     2.05279689     1.42314101
                                       -3.67453429
     0.42013792    3     0.25329464     0.99529117     0.00000000
                                       -2.35528878     0.00000000
                                                       0.00000000
                         0.89594677     0.11627162     0.06116207
                                       -0.27514887    -0.14473587
                                                       0.20572910
     0.44713057    1    -0.74286267
                         0.06948258
     0.25499226    1   -25.19721081
                         0.01983007
#
Er GTH-PADE-q22 GTH-LDA-q22 GTH-PADE GTH-LDA
    4    6    0   12
     0.50583333    2    17.10529281    -1.43095318
    4  SOC
     0.41994801    2     2.14450257     1.54307528
                                       -3.98420323
     0.41445530    3     0.05408736     0.96959342     0.00000000
                                       -2.29447680     0.00000000
                                                       0.00000000
                         1.25513474     0.37692191     0.22288650
                                       -0.89196004    -0.52744572
                                                       0.74971696
     0.41838497    1    -0.99900632
                         0.09186175
     0.24912591    1   -26.69680936
                         0.02178337
#
Tm GTH-PADE-q23 GTH-LDA-q23 GTH-PADE GTH-LDA
    4    6    0   13
     0.50291669    2    17.24729254    -1.62769708
    4  SOC
     0.41337286    2     1.94719583     1.59627195
                                       -4.12155644
     0.40992301    3    -0.09449281     0.93984837     0.00000000
                                       -2.22408718     0.00000000
                                                       0.00000000
                         2.04536983     0.99188883     0.56567230
                                       -2.34723738    -1.33862499
                                                       1.90273579
     0.39287009    1    -1.35330770
                         0.11929895
     0.24391696    1   -28.10415875
                         0.02383347
#
Yb GTH-PADE-q24 GTH-LDA-q24 GTH-PADE GTH-LDA
    4    6    0   14
     0.50000000    2    17.35714421    -1.77391642
    4  SOC
     0.40230918    2     2.12077095     1.86019003
                                       -4.80298999
     0.41435774    3    -0.92321216     0.70931244     0.00000000
                                       -1.67853959     0.00000000
                                                       0.00000000
                        -0.34946961    -0.87654953    -0.53937986
                                        2.07429479     1.27640570
                                                      -1.81429663
     0.44402468    1    -0.88996733
                         0.07007567
     0.23829829    1   -29.93285367
                         0.02571848
#
Lu GTH-PADE-q25 GTH-LDA-q25 GTH-PADE GTH-LDA
    4    6    1   14
     0.49700000    2    17.03705292    -1.66161023
    4  SOC
     0.39120615    2     2.18467779     2.10393860
                                       -5.43234610
     0.39389567    3    -0.71981878     1.15101512     0.00000000
                                       -2.72379890     0.00000000
                                                       0.00000000
                         0.15245040    -0.58967098    -0.36827142
                                        1.39541622     0.87148924
                                                      -1.23874407
     0.43651827    1    -1.17324513
                         0.07213023
     0.23262926    1   -31.85226177
                         0.02800562
#
Hf GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    4    6    2
     0.56000000    2     5.13480056     0.52919062
    3  SOC
     0.42281035    3     2.56444209     2.32910852     0.27075363
                                       -6.01373234    -0.69908286
                                                       1.10975964
     0.47268130    3    -1.02527490     0.79129612     0.00000000
                                       -1.87254839     0.00000000
                                                       0.00000000
                         0.60750427     0.14014208    -0.03597879
                                       -0.33163669     0.08514135
                                                      -0.12102083
     0.42638752    2     1.45936326     2.32948018
                                       -5.28276448
                         0.22211861     0.05348066
                                       -0.12128275
#
Ta GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    4    6    3
     0.55000000    2     4.54623627     0.77942234
    3  SOC
     0.42185350    3     2.70813558     2.24282880     0.23120613
                                       -5.79095906    -0.59697167
                                                       0.94766314
     0.46134516    3    -0.72485277     0.93609767     0.00000000
                                       -2.21521141     0.00000000
                                                       0.00000000
                         0.64999172     0.14214268    -0.03012256
                                       -0.33637097     0.07128298
                                                      -0.10132239
     0.41099434    2     1.34849472     2.37542018
                                       -5.38694662
                         0.20534356     0.04513357
                                       -0.10235332
#
Ta GTH-PADE-q5 GTH-LDA-q5
    2    0    3
     0.74400000    1     3.62311645
    3  SOC
     0.58180113    2     2.00533833    -1.17236605
                                        3.02703613
     0.77064628    2     0.51856664    -0.50091380
                                        1.18537841
                        -0.48563525    -0.29375358
                                        0.69514785
     0.53436996    2    -2.20220040     0.73493457
                                       -1.66667495
                         0.08671559     0.04173012
                                       -0.09463501
#
W GTH-PADE-q14 GTH-LDA-q14 GTH-PADE GTH-LDA
    4    6    4
     0.54000000    2     4.80025094     0.90154434
    3  SOC
     0.41856963    3     2.69220433     2.33255747     0.29723855
                                       -6.02263750    -0.76746663
                                                       1.21831550
     0.44955492    3    -0.70208426     1.03602407     0.00000000
                                       -2.45168043     0.00000000
                                                       0.00000000
                         0.71547973     0.16283543    -0.02291919
                                       -0.38533896     0.05423670
                                                      -0.07709262
     0.39960167    2     1.17743638     2.44891670
                                       -5.55362106
                         0.20586005     0.04411598
                                       -0.10004563
#
W GTH-PADE-q6 GTH-LDA-q6
    2    0    4
     0.71900000    1     4.05844991
    3  SOC
     0.58246289    2     2.16116556    -1.06177835
                                        2.74149991
     0.74230741    2     0.60097339    -0.54932611
                                        1.29994284
                        -0.50979956    -0.31766785
                                        0.75173934
     0.53495887    2    -2.51706347     0.34797654
                                       -0.78913661
                         0.07577234     0.03800751
                                       -0.08619292
#
Re GTH-PADE-q15 GTH-LDA-q15 GTH-PADE GTH-LDA
    4    6    5
     0.53000000    2     5.59266028     0.94395680
    3  SOC
     0.40325199    3     2.76072043     2.47732079     0.21194880
                                       -6.39641476    -0.54724946
                                                       0.86873158
     0.44095069    3    -0.90054631     1.06118049     0.00000000
                                       -2.51121137     0.00000000
                                                       0.00000000
                         0.78871453     0.20705623    -0.00505749
                                       -0.48998446     0.01196821
                                                      -0.01701174
     0.39039544    2     0.87525142     2.50135628
                                       -5.67254285
                         0.20973732     0.04535809
                                       -0.10286248
#
Re GTH-PADE-q7 GTH-LDA-q7
    2    0    5
     0.69300000    1     8.18081618
    3  SOC
     0.50981621    2     2.26937936    -1.36659354
                                        3.52852934
     0.74583906    2     0.49669329    -0.39123421
                                        0.92582911
                        -0.37058909    -0.26063064
                                        0.61676466
     0.50095420    2    -3.68962967     0.83544051
                                       -1.89460099
                         0.11155664     0.05802813
                                       -0.13159543
#
Os GTH-PADE-q16 GTH-LDA-q16 GTH-PADE GTH-LDA
    4    6    6
     0.52000000    2     5.61307299     0.92195476
    3  SOC
     0.41057830    3     2.78575826     2.59185074     0.54822025
                                       -6.69212983    -1.41549860
                                                       2.24703437
     0.42239546    3    -0.59000550     1.27547446     0.00000000
                                       -3.01832347     0.00000000
                                                       0.00000000
                         0.87081735     0.17447632    -0.04147424
                                       -0.41288633     0.09814596
                                                      -0.13950571
     0.38025200    2     0.88013282     2.52796761
                                       -5.73289168
                         0.21644008     0.04551632
                                       -0.10322131
#
Os GTH-PADE-q8 GTH-LDA-q8
    2    0    6
     0.66700000    1     9.44045936
    3  SOC
     0.51030708    2     2.40236688    -1.17998407
                                        3.04670577
     0.71755329    2     0.49952321    -0.44509384
                                        1.05328427
                        -0.43074635    -0.29654416
                                        0.70175157
     0.48758605    2    -4.14203471     0.73468110
                                       -1.66610013
                         0.11694065     0.06162898
                                       -0.13976139
#
Ir GTH-PADE-q17 GTH-LDA-q17 GTH-PADE GTH-LDA
    4    6    7
     0.51000000    2     4.90450946     1.31378645
    3  SOC
     0.40446887    3     3.24327835     2.83328456     0.72142882
                                       -7.31550927    -1.86272120
                                                       2.95697824
     0.41142571    3    -0.38057445     1.48088044     0.00000000
                                       -3.50440273     0.00000000
                                                       0.00000000
                         0.93012073     0.16052213    -0.07810385
                                       -0.37986468     0.18482745
                                                      -0.26271570
     0.37642813    2     0.75431547     2.59088743
                                       -5.87558042
                         0.21951741     0.04945132
                                       -0.11214505
#
Ir GTH-PADE-q9 GTH-LDA-q9
    2    0    7
     0.64100000    1    10.72001591
    3  SOC
     0.50996044    2     2.44599887    -1.08871009
                                        2.81103736
     0.68497052    2     0.46179182    -0.55134721
                                        1.30472563
                        -0.56534735    -0.36325582
                                        0.85962018
     0.47174528    2    -4.54548411     0.72115617
                                       -1.63542847
                         0.12719880     0.06700352
                                       -0.15194970
#
Pt GTH-PADE-q10 GTH-LDA-q10
    1    0    9
     0.61600000    1    11.02741707
    3  SOC
     0.52013211    2     2.44743006    -1.02260695
                                        2.64035978
     0.65897566    2     0.40845297    -0.69628711
                                        1.64771604
                        -0.76329581    -0.45041788
                                        1.06588325
     0.45124318    2    -4.55229454     0.92706936
                                       -2.10239568
                         0.14691239     0.07465713
                                       -0.16930645
#
Pt GTH-PADE-q18 GTH-LDA-q18 GTH-PADE GTH-LDA
    3    6    9
     0.50000000    2     5.44583159     1.15638204
    3  SOC
     0.40994150    3     2.99436565     2.88489700     1.03520925
                                       -7.44877202    -2.67289879
                                                       4.24309529
     0.39865199    3    -0.22518140     1.59606293     0.00000000
                                       -3.77697426     0.00000000
                                                       0.00000000
                         1.01705973     0.14714667    -0.09867767
                                       -0.34821257     0.23351399
                                                      -0.33191927
     0.36796397    2     0.63206655     2.53790667
                                       -5.75543134
                         0.22647170     0.05042175
                                       -0.11434578
#
Au GTH-PADE-q1 GTH-LDA-q1
    1
     0.65000000    2    -1.96371223    -1.69812291
    2  SOC
     0.91930757    3     1.53959915     0.18155717    -0.19323771
                                       -0.46877861     0.49893761
                                                      -0.79203890
     1.14035080    3     0.47122943     0.21024829    -0.06235978
                                       -0.49753827     0.14757016
                                                      -0.20975780
                         0.03934865    -0.05618995    -0.04561301
                                        0.13296969     0.10794007
                                                      -0.15342717
#
Au GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    1    0   10
     0.59000000    1    11.60442790
    3  SOC
     0.52117975    2     2.53861359    -1.04613664
                                        2.70111320
     0.63061306    2     0.39485270    -0.86959213
                                        2.05783056
                        -0.96005489    -0.54790119
                                        1.29657086
     0.44070643    2    -4.71906966     0.72777081
                                       -1.65042907
                         0.14848354     0.07473921
                                       -0.16949260
#
Au GTH-PADE-q19 GTH-LDA-q19
    3    6   10
     0.49000000    2     9.07322639    -0.34013367
    3  SOC
     0.28803780    3    -5.90182040    26.42537412   -15.50837777
                                      -59.33938963    40.04245923
                                                     -31.78271670
     0.35586747    3    -7.08858659     8.19796427     0.00000000
                                       -9.69996213     0.00000000
                                                       0.00000000
                         0.62807493     1.81668773    -1.65141098
                                       -4.89888134     3.90795165
                                                      -2.77740200
     0.33386175    2    -8.82572349     9.56535285
                                      -10.84609065
                         0.18880114     0.03175114
                                       -0.03600240
#
Hg GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    2    0   10
     0.57000000    1     2.13457183
    3  SOC
     0.52180188    2     3.29392021    -1.80519780
                                        4.66100069
     0.62164790    3     2.10096040    -0.71415047     0.00000000
                                        1.68998846     0.00000000
                                                       0.00000000
                         0.08498860    -0.03075146     0.19423658
                                        0.07277124    -0.45964764
                                                       0.65334804
     0.40189401    2    -1.66988578     1.09060737
                                       -2.47326503
                         0.15575928     0.05392128
                                       -0.12228196
#
Hg GTH-PADE-q2 GTH-LDA-q2
    2
     0.64000000    1    -3.29632880
    3  SOC
     0.81210780    3     1.76504143     0.18053035    -0.19516558
                                       -0.46612737     0.50391537
                                                      -0.79994085
     1.05371378    2     0.47405588     0.22473320
                                       -0.53181582
                         0.09232980     0.00047238
                                       -0.00111786
     1.10000000    1     0.12063831
                         0.02093075
#
Tl GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    2    1   10
     0.55000000    1     7.30188582
    3  SOC
     0.50242266    2     3.32656022    -1.68141322
                                        4.34139027
     0.57201594    3     1.27280729    -1.26443781     0.00000000
                                        2.99220598     0.00000000
                                                       0.00000000
                         0.01223345    -0.01338045     0.30299168
                                        0.03166391    -0.71700919
                                                       1.01916448
     0.39318504    2    -3.20065227     1.32653373
                                       -3.00829573
                         0.18684918     0.07524992
                                       -0.17065079
#
Tl GTH-PADE-q3 GTH-LDA-q3
    2    1
     0.63000000    1    -1.23584552
    3  SOC
     0.75400547    3     1.87576571     0.11761462    -0.19062668
                                       -0.30367964     0.49219597
                                                      -0.78133689
     0.90374170    2     0.75966830     0.24793467
                                       -0.58672051
                         0.16864149    -0.00188436
                                        0.00445921
     1.06351212    1     0.24761396
                         0.02294091
#
Pb GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    2    2
     0.61750000    1     0.75314257
    3  SOC
     0.70525860    3     1.97992741     0.06388872    -0.19665860
                                       -0.16495996     0.50777033
                                                      -0.80606040
     0.84664106    2     0.86442030     0.22860106
                                       -0.54096885
                         0.20771072    -0.00547158
                                        0.01294813
     0.97193857    1     0.37496708
                         0.02925557
#
Bi GTH-PADE-q5 GTH-LDA-q5 GTH-PADE GTH-LDA
    2    3
     0.60500000    1     6.67943714
    3  SOC
     0.67885795    3     1.37763378     0.19895396    -0.11491910
                                       -0.51369691     0.29671983
                                                      -0.47102813
     0.79867267    2     0.65557809     0.17026993
                                       -0.40293219
                         0.30531353     0.00977575
                                       -0.02313366
     0.93468255    1     0.37847579
                         0.02921737
#
Po GTH-PADE-q6 GTH-LDA-q6 GTH-PADE GTH-LDA
    2    4
     0.59250000    1    10.41173070
    3  SOC
     0.64794961    3     1.14420296     0.28499406    -0.08280174
                                       -0.73585149     0.21379318
                                                      -0.33938616
     0.74894708    2     0.59456184     0.14942108
                                       -0.35359482
                         0.39635435     0.01329517
                                       -0.03146213
     0.88046840    1     0.43323228
                         0.03388641
#
At GTH-PADE-q7 GTH-LDA-q7 GTH-PADE GTH-LDA
    2    5
     0.58000000    1    13.52041116
    3  SOC
     0.62782694    3     0.94555652     0.37409257    -0.04645981
                                       -0.96590285     0.11995872
                                                      -0.19042856
     0.70982320    2     0.52707805     0.13472635
                                       -0.31882073
                         0.48077365     0.01477071
                                       -0.03495387
     0.83836499    1     0.46894787
                         0.03754438
#
Rn GTH-PADE-q8 GTH-LDA-q8 GTH-PADE GTH-LDA
    2    6
     0.57000000    1    14.62918461
    3  SOC
     0.61518195    3     0.98183224     0.40238854    -0.02938821
                                       -1.03896274     0.07588004
                                                      -0.12045584
     0.67669721    2     0.61227859     0.14541822
                                       -0.34412231
                         0.54989620     0.01004055
                                       -0.02376028
     0.78833715    1     0.55774596
                         0.04548755
#
Ac GTH-PADE-q11 GTH-LDA-q11
    4    6    1
     0.49000000    2    50.96215957    -5.77145929
    4  SOC
     0.42324630    3    -0.39699541     0.61809208     0.05360232
                                       -0.71076927    -0.13840059
                                                       0.10985206
     0.40537372    3     6.14236235   -11.89294724     5.55391687
                                       23.31834951   -13.14296611
                                                       9.34077583
                         4.31528155    -8.44140256     3.33810591
                                       15.54543946    -7.89940035
                                                       5.61414579
     0.78496695    2     0.23832322     0.60098946
                                       -0.68145799
                         0.03802566    -0.00530905
                                        0.00601990
     0.33009159    1   -15.90234948
                         0.03088415
#
Ac GTH-PADE-q29 GTH-LDA-q29
    6   12   11
     0.24500000    2   168.81599390    -8.22316581
    4  SOC
     0.18210253    3    -5.02641077    37.09621463   -22.41074503
                                      -84.34208668    57.86429485
                                                     -45.92836019
     0.18706012    3    -7.58310543     7.23264201    -4.95493973
                                      -16.80699642    11.72552751
                                                      -8.33339469
                        21.65354796   -29.11349941    13.10278192
                                       56.26169067   -31.00684129
                                                      22.03672682
     0.30674176    2     1.29796313    -1.76001284
                                        1.99566698
                        -0.05603888     0.45733480
                                       -0.51856891
     0.23547253    1     0.12648685
                         0.20203495
#
Th GTH-PADE-q12 GTH-LDA-q12
    4    6    2
     0.49000000    2    49.87527847    -5.00489107
    4  SOC
     0.44143389    3    -1.67756369     1.34777168    -0.00498825
                                       -1.74807915     0.01287961
                                                      -0.01022287
     0.39280926    3     5.49333669    -8.35575070     3.50622138
                                       15.72398142    -8.29723416
                                                       5.89688840
                         6.04886578    -7.39572641     3.26008735
                                       14.17828975    -7.71477476
                                                       5.48293140
     0.77182095    2     0.19225660     0.60836949
                                       -0.68982616
                         0.03465874     0.00231948
                                       -0.00263004
     0.32933743    1   -16.27257311
                         0.03198152
#
Th GTH-PADE-q30 GTH-LDA-q30
    6   12   12
     0.24500000    2   166.87172630    -9.94708736
    4  SOC
     0.18041822    3    -4.92036916    38.60944966   -23.49473392
                                      -88.05877276    60.66314214
                                                     -48.14987635
     0.18030408    3    -8.89717062     9.90396275    -6.22549124
                                      -22.08302023    14.73220115
                                                     -10.47025362
                        24.11151823   -31.88329515    16.01540509
                                       64.38803057   -37.89936569
                                                      26.93528053
     0.34711740    2     1.56649500    -1.99045889
                                        2.25696824
                        -0.71119844     1.13670126
                                       -1.28889808
     0.21173600    1    -1.43520455
                         0.32336620
#
Pa GTH-PADE-q13 GTH-LDA-q13
    4    6    1    2
     0.48500000    2    50.21042987    -4.67785813
    4  SOC
     0.43388667    3    -2.49630146     2.04513205    -0.29381450
                                       -3.11814345     0.75862579
                                                      -0.60214055
     0.37922776    3     4.68560635    -7.78484240     3.17450754
                                       14.49622067    -7.51225596
                                                       5.33900022
                         6.69268468    -8.77673363     3.92315179
                                       16.91622070    -9.28387160
                                                       6.59809687
     0.73009135    2     0.34655494     0.49045139
                                       -0.55611961
                         0.04393125     0.00065414
                                       -0.00074172
     0.32693110    1   -16.53360481
                         0.03317463
#
Pa GTH-PADE-q31 GTH-LDA-q31
    6   12   11    2
     0.24250000    2   169.55767380   -10.19164913
    4  SOC
     0.17742096    3    -5.44638351    41.62554474   -25.43795061
                                      -95.11317695    65.68050606
                                                     -52.13228551
     0.18113300    3    -7.25025958    -0.58881580     1.96491582
                                        3.96798143    -4.64983952
                                                       3.30466565
                        25.93462945   -41.89571943    24.92402579
                                       91.06638558   -58.98101005
                                                      41.91811717
     0.34273192    2     1.92255965    -2.50092459
                                        2.83578194
                        -0.85858127     1.32919518
                                       -1.50716567
     0.21689343    1    -1.72171982
                         0.25356520
#
U GTH-PADE-q14 GTH-LDA-q14
    4    6    1    3
     0.48000000    2    48.91835510    -4.65380016
    4  SOC
     0.49280549    3    -1.29355222     0.34963659     0.64363135
                                        0.59548757    -1.66184899
                                                       1.31905175
     0.39699473    3     4.00438886    -5.39520314     2.49158079
                                       10.53179247    -5.89615629
                                                       4.19042960
                         5.30496136    -6.83073266     3.49272662
                                       13.89708904    -8.26529974
                                                       5.87419244
     0.67698822    2     0.56202433     0.45941134
                                       -0.52092350
                         0.06362951    -0.00677739
                                        0.00768484
     0.32136994    1   -16.59071643
                         0.03561186
#
U GTH-PADE-q32 GTH-LDA-q32
    6   12   11    3
     0.24000000    2   168.30048480    -9.54947058
    4  SOC
     0.17557395    3    -5.68476760    43.86280167   -26.92623622
                                     -100.42216000    69.52324297
                                                     -55.18236337
     0.18257774    3    -7.23487214     1.08239686    -0.03559265
                                       -1.33996558     0.08422759
                                                      -0.05986099
                        25.56783598   -39.93996907    23.49504340
                                       86.37327278   -55.59942050
                                                      39.51480351
     0.33494065    2     2.23454409    -3.00781223
                                        3.41053849
                        -0.98637569     1.50800155
                                       -1.70991304
     0.21974441    1    -2.12558124
                         0.21406551
#
Np GTH-PADE-q15 GTH-LDA-q15
    4    6    1    4
     0.47500000    2    47.41752938    -4.29399238
    4  SOC
     0.47991958    3    -1.33870785     0.82365076     0.39509569
                                       -0.42070538    -1.02013268
                                                       0.80970521
     0.39538002    3     4.00201954    -3.76024214     1.52076333
                                        6.98101751    -3.59878287
                                                       2.55767410
                         5.26307817    -4.99759234     1.63016323
                                        8.62720418    -3.85767029
                                                       2.74166677
     0.68848297    2     0.38448383     0.53471269
                                       -0.60630720
                         0.05201471     0.00155351
                                       -0.00176151
     0.31620990    1   -16.83541963
                         0.03761893
#
Np GTH-PADE-q33 GTH-LDA-q33
    6   12   11    4
     0.23750000    2   169.20405090    -9.99299996
    4  SOC
     0.17239002    3    -3.73727990    45.46966403   -28.59877410
                                     -105.21699340    73.84171721
                                                     -58.61004604
     0.18198697    3    -5.20150456    -2.14654486     1.69527836
                                        5.36220606    -4.01176081
                                                       2.85117972
                        26.12747122   -41.01153789    23.57878333
                                       87.78058434   -55.79758535
                                                      39.65564032
     0.32972661    2     2.38695303    -3.14342811
                                        3.56431245
                        -1.16768618     1.74489054
                                       -1.97851990
     0.21994233    1    -2.14290505
                         0.19911122
#
Pu GTH-PADE-q16 GTH-LDA-q16
    4    6    0    6
     0.47000000    2    47.45124733    -3.54897313
    4  SOC
     0.46119535    3    -2.43825620     1.59744305     0.32958855
                                       -1.52621429    -0.85099398
                                                       0.67545553
     0.35860673    3     3.02563169    -3.05562371     0.49731368
                                        4.44341417    -1.17685896
                                                       0.83639992
                         7.78392603   -10.16900772     4.54173572
                                       19.59342953   -10.74770836
                                                       7.63845342
     0.66919182    2     0.44060277     0.39248064
                                       -0.44503121
                         0.05620481     0.00348705
                                       -0.00395394
     0.31665469    1   -17.01355118
                         0.03830369
#
Pu GTH-PADE-q34 GTH-LDA-q34
    6   12   10    6
     0.23500000    2   167.66884840    -9.86812047
    4  SOC
     0.17078391    3    -2.89871892    44.65085852   -28.40421993
                                     -103.84347760    73.33938049
                                                     -58.21132863
     0.16520600    3    -7.11855563     3.15633349    -2.70427652
                                       -8.23683214     6.39948626
                                                      -4.54814888
                        35.67385243   -64.26463001    38.59002411
                                      140.28544056   -91.32066458
                                                      64.90208143
     0.32944770    2     2.70299077    -3.44741765
                                        3.90900419
                        -1.60382806     2.27117199
                                       -2.57526698
     0.22083468    1    -2.12563334
                         0.18378538
#
Am GTH-PADE-q17 GTH-LDA-q17
    4    6    0    7
     0.46500000    2    46.56622033    -3.48413796
    4  SOC
     0.46689541    3    -2.07710333     1.25814233     0.55899394
                                       -0.71505106    -1.44331614
                                                       1.14559667
     0.33352003    3     4.12938059    -5.47319205     2.48814303
                                       10.61834684    -5.88802107
                                                       4.18464785
                         9.90083289   -17.49568117    10.14536346
                                       37.59165204   -24.00831186
                                                      17.06283478
     0.65855719    2     0.41642559     0.43044271
                                       -0.48807616
                         0.05719278     0.00527537
                                       -0.00598171
     0.31113391    1   -17.29824454
                         0.04090256
#
Am GTH-PADE-q35 GTH-LDA-q35
    6   12   10    7
     0.23250000    2   169.46800700   -10.16239620
    4  SOC
     0.16891292    3    -3.40823892    45.64615298   -28.88701863
                                     -105.91366940    74.58596138
                                                     -59.20077153
     0.16162046    3    -7.44866076     5.97256151    -5.14269235
                                      -15.62862854    12.16983131
                                                      -8.64916376
                        38.51786954   -68.98746691    41.79065083
                                      151.20213186   -98.89472979
                                                      70.28500981
     0.32413432    2     3.12075382    -3.96829791
                                        4.49962688
                        -1.95796754     2.71703864
                                       -3.08083223
     0.22072229    1    -2.24956217
                         0.17486279
#
Cm GTH-PADE-q18 GTH-LDA-q18
    4    6    1    7
     0.46000000    2    44.50621749    -2.77391345
    4  SOC
     0.45947256    3    -2.27933329     1.82258774     0.39023232
                                       -1.71823775    -1.00757551
                                                       0.79973827
     0.39820886    3     1.17228839     0.66084531    -0.76589315
                                       -2.05701802     1.81243400
                                                      -1.28810647
                         4.61400647    -3.40218548     0.81728633
                                        5.38617725    -1.93405246
                                                       1.37454136
     0.66591913    2     0.24987082     0.50601659
                                       -0.57376888
                         0.04627069     0.01538908
                                       -0.01744958
     0.30864176    1   -17.27054370
                         0.04286148
#
Cm GTH-PADE-q36 GTH-LDA-q36
    6   12   11    7
     0.23000000    2   169.60848300    -9.75498899
    4  SOC
     0.16864495    3    -5.02261449    46.04247043   -28.59222091
                                     -105.94582450    73.82479695
                                                     -58.59661600
     0.15904152    3    -7.15904010     4.08267873    -3.16066010
                                      -10.09270767     7.47948694
                                                      -5.31571109
                        41.50345875   -77.71190269    47.73237904
                                      171.41709483  -112.95542506
                                                      80.27802063
     0.31283092    2     3.01179256    -3.93792483
                                        4.46518705
                        -1.76677747     2.53330808
                                       -2.87250136
     0.21694145    1    -2.65301234
                         0.18181434
#
Bk GTH-PADE-q19 GTH-LDA-q19
    4    6    0    9
     0.45500000    2    44.89407939    -2.82482879
    4  SOC
     0.44714913    3    -2.44455590     2.21662721     0.27998161
                                       -2.40626329    -0.72290942
                                                       0.57379156
     0.32207789    3     3.74614356     0.77692877    -1.90239842
                                       -4.08647776     4.50189634
                                                      -3.19952165
                        10.77192690   -20.28520229    11.85597603
                                       43.74016699   -28.05636004
                                                      19.93980412
     0.62880944    2     0.43133739     0.40395712
                                       -0.45804431
                         0.06524151     0.00718353
                                       -0.00814536
     0.30365003    1   -17.79595077
                         0.04549417
#
Bk GTH-PADE-q37 GTH-LDA-q37
    6   12   10    9
     0.22750000    2   169.60578390   -10.57061301
    4  SOC
     0.16676521    3    -2.25466711    43.75306294   -27.76419566
                                     -101.64342900    71.68684495
                                                     -56.89966920
     0.15065592    3    -2.58919555    -2.79899500    -0.73991812
                                        2.07996473     1.75096584
                                                      -1.24442074
                        49.95213581  -100.80631219    64.09125178
                                      225.97779693  -151.66758356
                                                     107.79095736
     0.31397326    2     3.14997301    -3.81169176
                                        4.32205220
                        -2.56626030     3.48883723
                                       -3.95596957
     0.20837218    1    -2.83493744
                         0.21323120
#
Cf GTH-PADE-q20 GTH-LDA-q20
    4    6    0   10
     0.45000000    2    42.88887938    -2.10550607
    4  SOC
     0.45258320    3    -2.52472648     2.04323094     0.54105048
                                       -1.75778113    -1.39698632
                                                       1.10882352
     0.39588597    3     0.26196681     1.83521038    -1.28746517
                                       -4.31488336     3.04669865
                                                      -2.16530492
                         3.92145303    -1.93063697    -1.11817712
                                        0.42276609     2.64609003
                                                      -1.88059024
     0.61205655    2     0.44056582     0.36210195
                                       -0.41058502
                         0.07294377     0.00489797
                                       -0.00555378
     0.30214176    1   -17.66171245
                         0.04724855
#
Cf GTH-PADE-q38 GTH-LDA-q38
    6   12   10   10
     0.22500000    2   169.95376700    -9.58336306
    4  SOC
     0.16592450    3    -5.44316982    47.46136328   -29.39576092
                                     -109.08456520    75.89952832
                                                     -60.24338297
     0.14951098    3    -6.68670830     9.64518695    -7.69346039
                                      -24.22077733    18.20605018
                                                     -12.93913657
                        51.47253949  -101.19565645    64.55522231
                                      227.21091537  -152.76553822
                                                     108.57127953
     0.30749995    2     4.35423506    -5.54276313
                                        6.28490264
                        -3.13970051     4.20407243
                                       -4.76697006
     0.21732723    1    -2.77660385
                         0.16640874
#
Es GTH-PADE-q21 GTH-LDA-q21
    4    6    0   11
     0.44500000    2    41.49567519    -1.72675445
    4  SOC
     0.45151576    3    -2.43020431     2.03406915     0.66895842
                                       -1.53791103    -1.72724320
                                                       1.37095679
     0.39173051    3    -0.00548619     2.77069720    -1.84812253
                                       -6.35517529     4.37345613
                                                      -3.10823850
                         4.11159147    -1.97215989    -0.97258770
                                        0.71428086     2.30156256
                                                      -1.63573274
     0.59942433    2     0.44196866     0.35791371
                                       -0.40583600
                         0.07706554     0.00605421
                                       -0.00686483
     0.29835517    1   -17.81123050
                         0.04982335
#
Es GTH-PADE-q39 GTH-LDA-q39
    6   12   10   11
     0.22250000    2   170.20612880    -9.35257848
    4  SOC
     0.16400235    3    -5.40750213    49.28522630   -30.61035278
                                     -113.41469610    79.03559102
                                                     -62.73255557
     0.14641171    3    -6.37894930    10.54211885    -9.51836848
                                      -28.32023511    22.52457092
                                                     -16.00833223
                        55.87277688  -112.09975885    72.68855015
                                      253.65357379  -172.01250478
                                                     122.25020097
     0.30249339    2     4.94977081    -6.27917535
                                        7.11991560
                        -3.77216813     4.98467208
                                       -5.65208686
     0.21779864    1    -2.81483897
                         0.15989079
#
Fm GTH-PADE-q22 GTH-LDA-q22
    4    6    0   12
     0.44000000    2    39.92429616    -1.33980993
    4  SOC
     0.45086869    3    -2.28670647     1.99627428     0.80856198
                                       -1.26205286    -2.08769805
                                                       1.65705895
     0.38013543    3    -0.21060242     3.77243604    -2.63718448
                                       -8.85411648     6.24071751
                                                      -4.43531108
                         4.67951186    -2.78576199    -0.63605365
                                        2.23722571     1.50517765
                                                      -1.06973776
     0.59926169    2     0.35790400     0.40218689
                                       -0.45603706
                         0.07080347     0.01268022
                                       -0.01437802
     0.29484225    1   -17.87461540
                         0.05250977
#
Fm GTH-PADE-q40 GTH-LDA-q40
    6   12   10   12
     0.22000000    2   170.56726180    -9.24043151
    4  SOC
     0.16315902    3    -5.72742563    49.65646785   -30.71733564
                                     -114.06797450    79.31181959
                                                     -62.95180520
     0.14377000    3    -4.82353993    10.48446444    -9.11812661
                                      -27.58567583    21.57742580
                                                     -15.33519113
                        59.69219169  -120.36415376    77.97209901
                                      272.22844087  -184.51566340
                                                     131.13626217
     0.29766121    2     5.39272855    -6.77491968
                                        7.68203684
                        -4.42455951     5.78825109
                                       -6.56325982
     0.21641138    1    -2.88318828
                         0.16047270
#
Md GTH-PADE-q23 GTH-LDA-q23
    4    6    0   13
     0.43500000    2    38.69487281    -1.16554631
    4  SOC
     0.44853959    3    -2.03615699     1.96254623     0.93286636
                                       -1.01632904    -2.40865059
                                                       1.91180714
     0.42981446    3    -0.24175435     1.87953172    -0.84089522
                                       -3.62385422     1.98992128
                                                      -1.41424762
                         2.14570099     0.76914063    -2.03428780
                                       -4.29683841     4.81400358
                                                      -3.42133791
     0.58435627    2     0.38421854     0.41584344
                                       -0.47152214
                         0.07747406     0.01267257
                                       -0.01436934
     0.29041671    1   -18.04214205
                         0.05571794
#
Md GTH-PADE-q41 GTH-LDA-q41
    6   12   10   13
     0.21750000    2   171.21975470    -8.96585330
    4  SOC
     0.16277624    3    -6.93805520    50.06791998   -30.43447080
                                     -114.13907720    78.58146571
                                                     -62.37210478
     0.14264709    3    -4.66017644    11.84657505   -10.64167808
                                      -31.73382767    25.18280659
                                                     -17.89755442
                        61.76542120  -122.51766895    79.09590763
                                      276.64748433  -187.17508001
                                                     133.02632368
     0.29264317    2     6.20916266    -7.78755324
                                        8.83025537
                        -5.27561863     6.83085997
                                       -7.74546717
     0.21520316    1    -3.03041931
                         0.16064452
#
No GTH-PADE-q24 GTH-LDA-q24
    4    6    0   14
     0.43000000    2    37.64993707    -0.71035344
    4  SOC
     0.44606523    3    -2.12290880     1.89514994     1.18588141
                                       -0.51779180    -3.06193263
                                                       2.43033368
     0.44030926    3    -0.44365586     1.70373384    -0.58231627
                                       -2.98535285     1.37801181
                                                      -0.97936032
                         1.80650986     1.09492221    -1.81482464
                                       -4.31693567     4.29465894
                                                      -3.05223692
     0.58590977    2     0.29720777     0.42743294
                                       -0.48466340
                         0.07220963     0.01577385
                                       -0.01788587
     0.28762698    1   -18.23169072
                         0.05846154
#
No GTH-PADE-q42 GTH-LDA-q42
    6   12   10   14
     0.21500000    2   170.20112220    -8.36649541
    4  SOC
     0.16108022    3    -6.54768774    51.78832161   -31.74970248
                                     -118.49933070    81.97737930
                                                     -65.06752763
     0.14343215    3    -3.12095351    11.22816211    -9.93301526
                                      -29.82229610    23.50580431
                                                     -16.70569997
                        62.73353743  -119.87320499    79.26321105
                                      273.79704700  -187.57099219
                                                     133.30770053
     0.28784304    2     6.66352087    -8.30436850
                                        9.41626879
                        -6.03511295     7.76233274
                                       -8.80165800
     0.21423411    1    -3.09688705
                         0.16066074
#
Lr GTH-PADE-q25 GTH-LDA-q25
    4    7    0   14
     0.42500000    2    36.50044813    -0.04513472
    4  SOC
     0.43925289    3    -2.40921806     2.25255734     1.27165892
                                       -0.83968563    -3.28340920
                                                       2.60612526
     0.40203493    3    -0.96542156     3.63264077    -1.29954169
                                       -6.46173726     3.07527694
                                                      -2.18561566
                         3.13711872     0.00842955    -1.58758477
                                       -2.65306050     3.75691127
                                                      -2.67005679
     0.55453852    2     0.37725597     0.38451952
                                       -0.43600416
                         0.09350713     0.01412146
                                       -0.01601224
     0.28435978    1   -18.63735470
                         0.06153687
#
Lr GTH-PADE-q43 GTH-LDA-q43
    6   13   10   14
     0.21250000    2   169.88067920   -19.18433618
    4  SOC
     0.15822452    3    16.51790480    29.59009405   -23.64255937
                                      -76.65527284    61.04482580
                                                     -48.45282837
     0.18971618    3     7.32522979     6.94342186    -6.20871752
                                      -18.55213532    14.69250728
                                                     -10.44204297
                         2.50842833    32.60760115   -36.19525737
                                      -98.84141744    85.65361215
                                                     -60.87447716
     0.50138601    2     1.63784418    -0.09640327
                                        0.10931104
                         0.36269712    -0.00023403
                                        0.00026537
     0.23146733    1    -0.76015820
                         0.10913674
#
################################################################################
#
# PBE functional
#
################################################################################
#
H GTH-PBE-q1 GTH-PBE
    1
     0.20000000    2    -4.17890044     0.72446331
    0  SOC
#
He GTH-PBE-q2 GTH-PBE
    2
     0.20000000    2    -9.12214383     1.70270770
    0  SOC
#
Li GTH-PBE-q3 GTH-PBE
    3
     0.40000000    4   -14.08115455     9.62621962    -1.78361605     0.08515207
    0  SOC
#
Be GTH-PBE-q4 GTH-PBE
    4
     0.32500000    4   -24.06746684    17.27902186    -3.33910629     0.16554912
    0  SOC
#
B GTH-PBE-q3 GTH-PBE
    2    1
     0.41899145    2    -5.85946171     0.90375643
    2  SOC
     0.37132046    1     6.29728018
     0.36456308    1     0.00000000
                         0.00085498
#
C GTH-PBE-q4 GTH-PBE
    2    2
     0.33847124    2    -8.80367398     1.33921085
    2  SOC
     0.30257575    1     9.62248665
     0.29150694    1     0.00000000
                         0.00207319
#
N GTH-PBE-q5 GTH-PBE
    2    3
     0.28379051    2   -12.41522559     1.86809592
    2  SOC
     0.25540500    1    13.63026257
     0.24549453    1     0.00000000
                         0.00414750
#
O GTH-PBE-q6 GTH-PBE
    2    4
     0.24455430    2   -16.66721480     2.48731132
    2  SOC
     0.22095592    1    18.33745811
     0.21133247    1     0.00000000
                         0.00755927
#
F GTH-PBE-q7 GTH-PBE
    2    5
     0.21492959    2   -21.57302836     3.19977615
    2  SOC
     0.19468402    1    23.74354045
     0.18615608    1     0.00000000
                         0.01261401
#
Ne GTH-PBE-q8 GTH-PBE
    2    6
     0.19000000    2   -27.12015973     4.36044962
    2  SOC
     0.17605938    2    28.17737082     0.83365601
                                       -1.07624528
     0.19547452    1    -0.23629360
                         0.01296979
#
Na GTH-PBE-q1
    1
     0.71392610    1    -3.15164518
    2  SOC
     0.76012915    2     1.91260929    -0.16720348
                                        0.21585877
     0.88846911    1     0.50929900
                         0.00191745
#
Na GTH-PBE-q9 GTH-PBE
    3    6
     0.18000000    2    -8.87992393     3.94443828
    2  SOC
     0.14024412    1    38.69439882
     0.14800396    1    -7.53326705
                         0.03168706
#
Na GTH-PBE-q9_old
    3    6
     0.23652322    2     0.29510499    -0.91388488
    2  SOC
     0.14356046    1    34.60149228
     0.12993224    1   -14.27746168
                         0.05324287
#
Mg GTH-PBE-q10 GTH-PBE
    4    6
     0.19275787    2   -20.57539077     3.04016732
    2  SOC
     0.14140682    1    41.04729209
     0.10293187    1    -9.98562566
                         0.10308305
#
Mg GTH-PBE-q2
    2
     0.57696017    1    -2.69040744
    2  SOC
     0.59392350    2     3.50321099    -0.71677167
                                        0.92534825
     0.70715728    1     0.83115848
                         0.00414275
#
Al GTH-PBE-q3 GTH-PBE
    2    1
     0.45000000    1    -7.55476126
    2  SOC
     0.48743529    2     6.95993832    -1.88883584
                                        2.43847659
     0.56218949    2     1.86529857     0.00000000
                                        0.00000000
                         0.01323750    -0.01265070
                                        0.01496851
#
Si GTH-PBE-q4 GTH-PBE
    2    2
     0.44000000    1    -6.26928833
    2  SOC
     0.43563383    2     8.95174150    -2.70627082
                                        3.49378060
     0.49794218    2     2.43127673     0.00000000
                                        0.00000000
                         0.01877687    -0.01639758
                                        0.01940188
#
P GTH-PBE-q5 GTH-PBE
    2    3
     0.43000000    1    -5.87594327
    2  SOC
     0.39637742    2    11.00886207    -3.47035607
                                        4.48021042
     0.44829838    2     3.05606416     0.00000000
                                        0.00000000
                         0.02606888    -0.02118456
                                        0.02506591
#
S GTH-PBE-q6 GTH-PBE
    2    4
     0.42000000    1    -5.98626038
    2  SOC
     0.36482035    2    13.14354448    -4.24183045
                                        5.47617957
     0.40948048    2     3.70089057     0.00000000
                                        0.00000000
                         0.03492359    -0.02660790
                                        0.03148290
#
Cl GTH-PBE-q7 GTH-PBE
    2    5
     0.41000000    1    -6.39208181
    2  SOC
     0.33953864    2    15.21898983    -4.93452321
                                        6.37044208
     0.37847416    2     4.33877527     0.00000000
                                        0.00000000
                         0.04528923    -0.03257832
                                        0.03854719
#
Ar GTH-PBE-q8 GTH-PBE
    2    6
     0.40000000    1    -7.10000000
    2  SOC
     0.31881468    2    17.25203807    -5.58548836
                                        7.21083447
     0.35337019    2     4.97421551     0.00000000
                                        0.00000000
                         0.05709588    -0.03927810
                                        0.04647447
#
K GTH-PBE-q9 GTH-PBE
    3    6
     0.40000000    2    -3.36355184    -1.08652975
    2  SOC
     0.30531772    2    17.85062321    -5.62264870
                                        7.25880826
     0.31648432    2     7.33378021    -2.46094505
                                        2.91182945
                         0.08936707    -0.06986008
                                        0.08265956
#
Ca GTH-PBE-q10 GTH-PBE
    4    6
     0.39000000    2    -4.16707222    -1.58379781
    3  SOC
     0.28935572    2    20.53187635    -7.12978578
                                        9.20451387
     0.32788206    2     5.80560513    -0.42875336
                                        0.50730782
                         0.15992263    -0.19967894
                                        0.23626331
     0.67961713    1     0.05806826
                         0.00046474
#
Sc GTH-PBE-q11 GTH-PBE
    4    6    1
     0.38500000    2     8.21490030    -0.55705910
    3  SOC
     0.36361108    2     2.64653339     3.02108393
                                       -3.90020259
     0.24389778    2    -2.63482265     7.99213715
                                       -9.45642421
                         0.20196646    -0.05799329
                                        0.06861858
     0.25320575    1    -8.16594769
                         0.00480094
#
Ti GTH-PBE-q12 GTH-PBE
    4    6    2
     0.38000000    2     8.71144218    -0.70028677
    3  SOC
     0.33777078    2     2.57526386     3.69297065
                                       -4.76760461
     0.24253135    2    -4.63054123     8.87087502
                                      -10.49616087
                         0.20121752    -0.06088315
                                        0.07203791
     0.24331694    1    -9.40665268
                         0.00584456
#
V GTH-PBE-q13 GTH-PBE
    4    6    3
     0.37500000    2     7.47470354    -0.37026363
    3  SOC
     0.32779544    2     1.94087762     4.72568824
                                       -6.10083728
     0.24476590    2    -5.97816705     9.35863915
                                      -11.07329118
                         0.19032152    -0.05946067
                                        0.07035481
     0.24173879    1    -9.49989110
                         0.00648186
#
Cr GTH-PBE-q14 GTH-PBE
    3    6    5
     0.37000000    2     5.69965764    -0.69548599
    3  SOC
     0.31393442    2     2.86995474     4.97445648
                                       -6.42199570
     0.24086624    2    -4.47620867     7.33141440
                                       -8.67464650
                         0.19042071    -0.04824721
                                        0.05708687
     0.22028633    1   -11.19711641
                         0.00894423
#
Mn GTH-PBE-q15 GTH-PBE
    4    6    5
     0.36500000    2     6.09304649    -0.44646948
    3  SOC
     0.29568592    2     1.88711984     6.35683658
                                       -8.20664074
     0.24561261    2    -6.57002452     7.98335983
                                       -9.44603874
                         0.18314922    -0.04673645
                                        0.05529931
     0.22252279    1   -11.61205092
                         0.00951135
#
Fe GTH-PBE-q16 GTH-PBE
    4    6    6
     0.36000000    2     6.75678916    -0.22883251
    3  SOC
     0.27826303    2     0.62950570     7.91313242
                                      -10.21581002
     0.25138338    2    -7.93213293     7.69707888
                                       -9.10730654
                         0.09786820     0.08070002
                                       -0.09548555
     0.22285578    1   -12.38579937
                         0.01036288
#
Co GTH-PBE-q17 GTH-PBE
    4    6    7
     0.35500000    2     4.82819736     0.36814301
    3  SOC
     0.27680076    2    -0.58449582     9.28629277
                                      -11.98855242
     0.26815783    2    -6.85195349     5.68013280
                                       -6.72082376
                         0.03467390     0.13534705
                                       -0.16014479
     0.22258414    1   -12.33315019
                         0.01143107
#
Ni GTH-PBE-q18 GTH-PBE
    4    6    8
     0.35000000    2     2.10216598     0.64848387
    3  SOC
     0.26129530    2     0.62265847     9.97022667
                                      -12.87150729
     0.22425346    2   -11.14270822    12.42956644
                                      -14.70686134
                         0.13310966     0.15168114
                                       -0.17947154
     0.21534825    1   -12.62814550
                         0.01349066
#
Cu GTH-PBE-q11 GTH-PBE
    1    0   10
     0.53000000    0
    3  SOC
     0.43135505    3     9.69380507    -6.47016535     1.93595215
                                       11.50177396    -4.99860696
                                                       3.96752127
     0.56139155    2     2.54547330    -0.78463573
                                        0.92839352
                         0.09147262    -0.11244872
                                        0.13305111
     0.26455485    1   -12.82861406
                         0.01046090
#
Cu GTH-PBE-q19
    3    6   10
     0.34500000    2     0.05196970     1.24904337
    3  SOC
     0.25002849    2     0.75019332    10.73582127
                                      -13.85988567
     0.22202454    2   -13.05959885    14.74763830
                                      -17.44964096
                         0.14035346     0.18322786
                                       -0.21679813
     0.21556837    1   -12.45672374
                         0.01478075
#
Zn GTH-PBE-q12 GTH-PBE
    2    0   10
     0.51000000    0
    3  SOC
     0.40031644    3    11.53004133    -8.79189815     3.14508644
                                       16.46577518    -8.12057827
                                                       6.44550918
     0.54318233    2     2.59719512    -0.59426275
                                        0.70314117
                         0.10017431    -0.10693277
                                        0.12652456
     0.25095885    1   -14.46695795
                         0.01272732
#
Zn GTH-PBE-q20
    4    6   10
     0.34000000    2     0.55188462     1.24394356
    3  SOC
     0.24394890    2    -1.34762699    12.79313122
                                      -16.51586139
     0.23975357    2    -9.72145777     8.07114357
                                       -9.54990586
                        -0.00982281     0.28902245
                                       -0.34197598
     0.20855195    1   -14.19380873
                         0.01730011
#
Ga GTH-PBE-q13 GTH-PBE
    2    1   10
     0.49000000    0
    3  SOC
     0.41677723    3    10.47568975    -4.92176814     0.87070559
                                        7.77017809    -2.24815216
                                                       1.78441545
     0.56962652    2     1.77798534     0.19585976
                                       -0.23174439
                         0.07922219    -0.05277747
                                        0.06244715
     0.23812650    1   -16.24868022
                         0.01545711
#
Ga GTH-PBE-q3
    2    1
     0.56000000    0
    3  SOC
     0.56586645    3     2.21575051     1.03244793    -0.76062946
                                       -2.57004845     1.96393682
                                                      -1.55882652
     0.64671613    2     0.31122394     0.61341605
                                       -0.72580366
                         0.04378597    -0.01162286
                                        0.01375235
     0.99942484    1     0.08951951
                         0.00090534
#
Ge GTH-PBE-q4 GTH-PBE
    2    2
     0.54000000    0
    3  SOC
     0.42186518    3     7.51024121    -0.58810836    -1.44797580
                                       -1.59588819     3.73865744
                                                      -2.96746735
     0.56752887    2     0.91385969     0.54687534
                                       -0.64707163
                         0.07515712    -0.03426241
                                        0.04053983
     0.81391394    1     0.19717731
                         0.00209896
#
As GTH-PBE-q5 GTH-PBE
    2    3
     0.52000000    0
    3  SOC
     0.45554957    3     5.52067327     0.03512220    -1.06108239
                                       -1.77119320     2.73970295
                                                      -2.17457180
     0.55460557    2     1.02179156     0.62920826
                                       -0.74448925
                         0.07884496    -0.03308528
                                        0.03914703
     0.70368872    1     0.31479504
                         0.00335570
#
Se GTH-PBE-q6 GTH-PBE
    2    4
     0.51000000    0
    3  SOC
     0.43246005    3     6.51810990    -0.22271639    -1.19612899
                                       -1.65797833     3.08839178
                                                      -2.45133498
     0.47049162    2     2.28126223     0.36533529
                                       -0.43227055
                         0.15386757    -0.09508784
                                        0.11250945
     0.62560034    1     0.43979948
                         0.00489231
#
Br GTH-PBE-q7 GTH-PBE
    2    5
     0.50000000    0
    3  SOC
     0.43803892    3     6.07855632     0.33049817    -1.23838226
                                       -2.44090020     3.19748924
                                                      -2.53792841
     0.45313561    2     2.45930381     0.52275313
                                       -0.61852985
                         0.17300601    -0.09956873
                                        0.11781131
     0.56771383    1     0.55926645
                         0.00654644
#
Kr GTH-PBE-q8 GTH-PBE
    2    6
     0.50000000    0
    3  SOC
     0.42165717    3     6.46530358     0.53866049    -1.50260118
                                       -3.13938870     3.87969957
                                                      -3.07941607
     0.43374437    2     2.60116535     0.70510978
                                       -0.83429715
                         0.19991623    -0.11006240
                                        0.13022759
     0.52469073    1     0.63559472
                         0.00829734
#
Rb GTH-PBE-q9 GTH-PBE
    3    6
     0.49000000    2     5.66908644    -0.81162703
    3  SOC
     0.28180292    2    21.39073240    -8.07866676
                                       10.42951394
     0.28570828    2    12.25634859   -12.19854075
                                       14.43350807
                         1.41180234    -2.61453234
                                        3.09355639
     0.54179651    1     0.34566626
                         0.00696032
#
Sr GTH-PBE-q10 GTH-PBE
    4    6
     0.48000000    2     6.81095035    -1.19610979
    3  SOC
     0.27588581    2    21.28971943    -7.89903416
                                       10.19760926
     0.28174086    2    11.70905135   -10.96577673
                                       12.97488200
                         1.34629459    -2.37169277
                                        2.80622473
     0.52108911    1     0.36053906
                         0.00779193
#
Y GTH-PBE-q11 GTH-PBE
    4    6    1
     0.47500000    2    12.16776904    -2.32855103
    3  SOC
     0.24674070    2    23.45027195    -8.32535748
                                       10.74799029
     0.29656397    2     5.97863401    -5.85234964
                                        6.92459348
                         1.23578364    -2.38648117
                                        2.82372260
     0.45045569    2     1.18749048    -1.31867331
                                        1.49523499
                         0.01304100    -0.00010639
                                        0.00012063
#
Zr GTH-PBE-q12 GTH-PBE
    4    6    2
     0.47000000    2     7.79605677    -1.89321030
    3  SOC
     0.25982885    2    23.38087417    -8.57193933
                                       11.06632609
     0.28896899    2     8.59276581    -5.37735808
                                        6.36257589
                         1.00490626    -1.41611759
                                        1.67557293
     0.58124504    2     0.02781064     0.27686186
                                       -0.31393184
                        -0.00255322     0.01079629
                                       -0.01224184
#
Nb GTH-PBE-q13 GTH-PBE
    3    6    4
     0.46000000    2    26.27526252    -4.57803146
    3  SOC
     0.35116942    2    -1.04371870     3.27790404
                                       -4.23175592
     0.40546040    2    -0.66246647    -0.90782868
                                        1.07415738
                         0.18261561     0.04502076
                                       -0.05326929
     0.42212155    2     1.49409323    -3.43003953
                                        3.88929925
                         0.00621330     0.01529808
                                       -0.01734639
#
Mo GTH-PBE-q14 GTH-PBE
    3    6    5
     0.43000000    2    28.60936832    -4.72180336
    3  SOC
     0.34521579    2     0.14630305     2.76200500
                                       -3.56573312
     0.41688762    2    -0.19078495    -0.72874402
                                        0.86226156
                         0.10103602     0.15762775
                                       -0.18650767
     0.42050785    2     1.21681419    -2.68646267
                                        3.04616234
                         0.00136004     0.02273862
                                       -0.02578317
#
Tc GTH-PBE-q15 GTH-PBE
    3    6    6
     0.43000000    2    27.30199947    -4.64715709
    3  SOC
     0.34617499    2    -0.37921852     3.34056578
                                       -4.31265188
     0.42346840    2    -0.24151639    -0.82215042
                                        0.97278149
                         0.00672609     0.27805622
                                       -0.32900056
     0.43186468    2     1.21878473    -2.67400954
                                        3.03204182
                        -0.00760164     0.03277719
                                       -0.03716584
#
Ru GTH-PBE-q16 GTH-PBE
    3    6    7
     0.43000000    2    26.83239104    -5.05049720
    3  SOC
     0.34135508    2    -0.55504091     3.71548964
                                       -4.79667650
     0.42827085    2     0.10677508    -1.27757181
                                        1.51164335
                        -0.15600415     0.48648402
                                       -0.57561565
     0.43814779    2     1.50921742    -2.94305440
                                        3.33711002
                        -0.01536873     0.04203938
                                       -0.04766818
#
Ru GTH-PBE-q8
    1    0    7
     0.61211332    1     5.04489332
    3  SOC
     0.64215040    2     4.62556355    -1.80334903
                                        2.32811359
     0.67936654    2     3.23395238    -2.42101064
                                        2.86457842
                         0.24365860    -0.44245368
                                        0.52351826
     0.38059720    2   -15.53165455    13.58045054
                                      -15.39878349
                        -0.02436658     0.09258568
                                       -0.10498229
#
Rh GTH-PBE-q17 GTH-PBE
    3    6    8
     0.42000000    2    26.20679340    -4.93738335
    3  SOC
     0.34544622    2    -0.45248232     3.89280438
                                       -5.02558885
     0.37838014    2    -0.94111242    -0.00569931
                                        0.00674351
                         0.18648086     0.14716083
                                       -0.17412304
     0.43374725    2     1.57423622    -3.01217170
                                        3.41548166
                        -0.02161325     0.05073757
                                       -0.05753100
#
Rh GTH-PBE-q9
    1    0    8
     0.61900948    1     4.70454397
    3  SOC
     0.61332681    2     4.99320515    -1.92978191
                                        2.49133773
     0.69365000    2     2.53237506    -1.28086042
                                        1.51553449
                         0.18034883    -0.29258721
                                        0.34619385
     0.37003772    2   -16.88260377    14.71821684
                                      -16.68888922
                        -0.03265865     0.10951165
                                       -0.12417454
#
Pd GTH-PBE-q10
    0    0   10
     0.59600000    1     5.29987401
    3  SOC
     0.59194990    2     5.30819456    -2.06237933
                                        2.66252027
     0.66628526    2     2.73458446    -1.46697005
                                        1.73574237
                         0.20640805    -0.35787163
                                        0.42343942
     0.43851839    2    -3.71978832    -0.80738825
                                        0.91549223
                        -0.06113102     0.10023162
                                       -0.11365198
#
Pd GTH-PBE-q18 GTH-PBE
    2    6   10
     0.41000000    2    26.78365917    -4.93130594
    3  SOC
     0.33797077    2    -0.71872875     4.38486657
                                       -5.66083840
     0.41519591    2    -0.04624449    -1.07795233
                                        1.27545040
                        -0.44546453     0.88057476
                                       -1.04191011
     0.44027049    2     1.63916358    -3.09368795
                                        3.50791241
                        -0.03119207     0.06201267
                                       -0.07031576
#
Ag GTH-PBE-q11 GTH-PBE
    1    0   10
     0.57000000    1     0.03341912
    3  SOC
     0.52704461    3     9.58204535    -5.27424043     0.99704725
                                        8.43071259    -2.57436494
                                                       2.04333882
     0.62911218    2     3.87401904    -1.74211583
                                        2.06129925
                         0.25749375    -0.41140313
                                        0.48677875
     0.40538186    2    -2.72495276    -0.43354851
                                        0.49159781
                        -0.04679548     0.08682477
                                       -0.09845003
#
Ag GTH-PBE-q19
    3    6   10
     0.40000000    2    24.53317558    -4.21395181
    3  SOC
     0.31760029    2     0.62551338     4.28490995
                                       -5.53179495
     0.41962178    2    -0.19050165    -0.61441835
                                        0.72698960
                        -0.24535051     0.64883901
                                       -0.76771666
     0.45640092    2     1.75125916    -3.09368795
                                        3.50791241
                        -0.03347751     0.06201267
                                       -0.07031576
#
Cd GTH-PBE-q12 GTH-PBE
    2    0   10
     0.55000000    1     3.63395858
    3  SOC
     0.49127900    3    10.11138228    -6.50695409     1.80457679
                                       11.33558598    -4.65939724
                                                       3.69828191
     0.59970999    2     4.00148729    -1.88393578
                                        2.22910288
                         0.28931079    -0.45543886
                                        0.53888253
     0.37787256    2    -6.13703223     1.53571055
                                       -1.74133209
                        -0.06128372     0.11410996
                                       -0.12938854
#
In GTH-PBE-q13 GTH-PBE
    2    1   10
     0.53000000    1     3.32478546
    3  SOC
     0.47949521    3    11.11716024    -6.57350729     1.50686327
                                       10.93727471    -3.89070422
                                                       3.08815074
     0.56993285    2     4.70061419    -2.21706406
                                        2.62326557
                         0.34177179    -0.54199431
                                        0.64129631
     0.37706890    2    -4.00228785    -0.84012846
                                        0.95261614
                        -0.07755078     0.13327922
                                       -0.15112443
#
In GTH-PBE-q3
    2    1
     0.61000000    1     5.08622849
    3  SOC
     0.68888318    3     0.56228376     0.99900413    -0.48093816
                                       -2.07195476     1.24177699
                                                      -0.98562993
     0.76370974    2     0.10892299     0.42327835
                                       -0.50082970
                         0.10576704    -0.01722946
                                        0.02038617
     1.14391192    1     0.11683948
                         0.00226126
#
Sn GTH-PBE-q4 GTH-PBE
    2    2
     0.60500000    1     6.26678230
    3  SOC
     0.56643732    3     1.57118124     1.47004118    -1.17857669
                                       -3.81477013     3.04307193
                                                      -2.41536347
     0.64184959    2     0.52689769     0.40325781
                                       -0.47714107
                         0.22160101    -0.11203353
                                        0.13255986
     0.99087302    1     0.19876639
                         0.00451584
#
Sb GTH-PBE-q5 GTH-PBE
    2    3
     0.59000000    1     7.92852084
    3  SOC
     0.55613636    3     1.43047790     1.26142599    -0.92323353
                                       -3.13013340     2.38377872
                                                      -1.89206570
     0.62275507    2     0.56147233     0.30484522
                                       -0.36069773
                         0.23747176    -0.10907432
                                        0.12905847
     0.88948576    1     0.27086864
                         0.00696671
#
Te GTH-PBE-q6 GTH-PBE
    2    4
     0.57500000    1     8.71364868
    3  SOC
     0.57492240    3     1.40181273     0.97877992    -0.48630602
                                       -2.05457624     1.25563675
                                                      -0.99663078
     0.58989076    2     0.76478865     0.32398623
                                       -0.38334568
                         0.28709255    -0.13816104
                                        0.16347435
     0.81338925    1     0.34485820
                         0.00929869
#
I GTH-PBE-q7 GTH-PBE
    2    5
     0.56000000    1     8.20710157
    3  SOC
     0.53192813    3     2.30814581     1.00390933    -0.95915606
                                       -2.85610882     2.47653030
                                                      -1.96568498
     0.58918244    2     0.90648219     0.42507060
                                       -0.50295032
                         0.27569304    -0.10630683
                                        0.12578393
     0.73972147    1     0.47919458
                         0.01290065
#
Xe GTH-PBE-q8 GTH-PBE
    2    6
     0.56000000    1     8.03636262
    3  SOC
     0.53049420    3     2.23202148     1.20035836    -0.99849824
                                       -3.17371348     2.57811136
                                                      -2.04631245
     0.58177483    2     0.79698181     0.59123264
                                       -0.69955590
                         0.27633099    -0.09115677
                                        0.10785815
     0.68554509    1     0.56018900
                         0.01674755
#
Cs GTH-PBE-q9 GTH-PBE
    3    6
     0.54000000    2    33.31331676    -2.92121670
    4  SOC
     0.46189568    2    -3.32292700     2.45565338
                                       -3.17023488
     0.36635860    3    -4.95076405     0.84038977     0.00000000
                                       -0.99436259     0.00000000
                                                       0.00000000
                         1.47901467    -4.82006821     0.71637516
                                        6.89583701    -1.69525304
                                                       1.20482534
     0.76150193    1     0.19840723
                         0.01060475
     0.59701503    1    -1.55056693
                         0.00322244
#
Ba GTH-PBE-q10 GTH-PBE
    4    6
     0.54000000    2    24.52678070    -2.46867001
    4  SOC
     0.49206839    2     0.09515093     1.16931840
                                       -1.50958357
     0.39148930    3     0.80018261    -1.61683907     0.00000000
                                        1.91306979     0.00000000
                                                       0.00000000
                         1.38677712    -2.22926159     0.55122185
                                        3.55539820    -1.30442898
                                                       0.92706460
     0.67217348    1     0.38853100
                         0.01663250
     0.30049773    1   -19.65379452
                         0.00607912
#
La GTH-PBE-q11 GTH-PBE
    4    6    1
     0.53500000    2    20.68980469    -1.70327035
    4  SOC
     0.56144723    2    -0.02823977     1.07859821
                                       -1.39246430
     0.47517309    3     0.26802268     0.67328503     0.00000000
                                       -0.79664160     0.00000000
                                                       0.00000000
                         0.64154939    -0.31941115     0.08447724
                                        0.51857409    -0.19990965
                                                       0.14207685
     0.62908399    1     0.38022718
                         0.02046237
     0.29911708    1   -18.44354886
                         0.00738047
#
Ce GTH-PBE-q12 GTH-PBE
    4    6    1    1
     0.52480035    2    18.46313266    -0.35928475
    4  SOC
     0.52899318    2    -0.46945550     1.68519941
                                       -2.17558308
     0.47758674    3    -0.85915259     1.49893178     0.00000000
                                       -1.77356000     0.00000000
                                                       0.00000000
                         0.53180154    -0.20234053    -0.09655667
                                        0.07866042     0.22849478
                                                      -0.16239245
     0.65909303    1     0.10742047
                         0.01651587
     0.30186583    1   -17.66735258
                         0.00785811
#
Ce GTH-PBE-q30
    6   12   11    1
     0.20000000    2   148.23700910     3.91725495
    4  SOC
     0.24060899    2     2.21770923     4.21351645
                                       -5.43962635
     0.16613857    3    -4.53697472    11.78843522     0.01475880
                                      -13.92369350    -0.03492570
                                                       0.02482188
                         6.58733940    -7.76347086     0.01837566
                                        9.21645527    -0.04348474
                                                       0.03090484
     0.17161109    1   -15.00199037
                         0.36360640
     0.26526997    1    -4.75946878
                         0.01337882
#
Pr GTH-PBE-q13 GTH-PBE
    4    6    0    3
     0.53188976    2    16.83551414    -0.43235649
    4  SOC
     0.52415103    2    -0.50975406     1.84037783
                                       -2.37591756
     0.48546735    3    -0.98189616     1.60445908     0.00000000
                                       -1.89842158     0.00000000
                                                       0.00000000
                         0.11738149     0.91802470    -1.36977830
                                       -3.36669344     3.24148708
                                                      -2.30374209
     0.71653344    1     0.05575046
                         0.01209488
     0.29937329    1   -17.49550069
                         0.00863072
#
Nd GTH-PBE-q14 GTH-PBE
    4    6    0    4
     0.52991298    2    17.80646346    -0.32095543
    4  SOC
     0.50114025    2    -1.36443892     2.46474917
                                       -3.18197749
     0.50039105    3    -1.55942619     1.53939247     0.00000000
                                       -1.82143373     0.00000000
                                                       0.00000000
                         0.59294947    -0.61371631     0.67792729
                                        1.85480449    -1.60426878
                                                       1.14016235
     0.33431765    1    -1.70064367
                         0.41574225
     0.29567529    1   -18.64327128
                         0.00947171
#
Pm GTH-PBE-q15 GTH-PBE
    4    6    0    5
     0.52793919    2    17.84482075    -0.36133182
    4  SOC
     0.48944396    2    -1.72725500     2.81006693
                                       -3.62778081
     0.49132954    3    -1.87193192     1.65260118     0.00000000
                                       -1.95538409     0.00000000
                                                       0.00000000
                        -0.21858858     1.91346180    -2.21408582
                                       -5.95015377     5.23948335
                                                      -3.72372865
     0.47893079    1    -0.44781450
                         0.05970555
     0.29022183    1   -19.51693564
                         0.01053306
#
Sm GTH-PBE-q16 GTH-PBE
    4    6    0    6
     0.52466086    2    16.51148828    -0.24504217
    4  SOC
     0.48687809    2    -1.59045606     2.90667135
                                       -3.75249657
     0.49648709    3    -1.75047341     1.54491665     0.00000000
                                       -1.82797004     0.00000000
                                                       0.00000000
                        -0.68601615     3.27621519    -3.50012699
                                       -9.70364773     8.28281221
                                                      -5.88663864
     0.49241328    1    -0.41980527
                         0.04985656
     0.28444353    1   -19.88144667
                         0.01177755
#
Eu GTH-PBE-q17 GTH-PBE
    4    6    0    7
     0.52072219    2    17.93467530    -0.57606530
    4  SOC
     0.46955990    2    -2.07710390     3.25447577
                                       -4.20151015
     0.46644592    3    -2.34175427     2.29907112     0.00000000
                                       -2.72029763     0.00000000
                                                       0.00000000
                         1.65792601    -3.71639117     4.37001603
                                       11.67270356   -10.34134539
                                                       7.34964910
     0.47357383    1    -0.59831876
                         0.05828324
     0.27831058    1   -21.30605878
                         0.01315523
#
Gd GTH-PBE-q18 GTH-PBE
    4    6    1    7
     0.52126799    2    18.10313196    -0.51440770
    4  SOC
     0.45805877    2    -2.87481761     3.91661136
                                       -5.05632353
     0.46124964    3    -3.05406750     2.55197375     0.00000000
                                       -3.01953606     0.00000000
                                                       0.00000000
                         0.54157080    -0.12917284     0.16099098
                                        0.42086479    -0.38097419
                                                       0.27076038
     0.48332992    1    -0.84348188
                         0.05014620
     0.27559144    1   -22.18390606
                         0.01468660
#
Tb GTH-PBE-q19 GTH-PBE
    4    6    0    9
     0.51588228    2    17.15783725    -0.66955170
    4  SOC
     0.45376626    2    -2.42821095     3.74357813
                                       -4.83293859
     0.45360450    3    -2.68351507     2.30311187     0.00000000
                                       -2.72507871     0.00000000
                                                       0.00000000
                        -0.85647669     4.27218592    -4.86408800
                                      -13.15288326    11.51053306
                                                      -8.18059700
     0.47258283    1    -0.72646091
                         0.05530956
     0.26876196    1   -22.75147607
                         0.01609128
#
Dy GTH-PBE-q20 GTH-PBE
    4    6    0   10
     0.51029687    2    17.67093508    -0.86787770
    4  SOC
     0.44212348    2    -2.71573384     4.01788426
                                       -5.18706627
     0.45017230    3    -2.77347535     2.20115245     0.00000000
                                       -2.60443870     0.00000000
                                                       0.00000000
                        -0.44352171     3.08608168    -3.44531996
                                       -9.38743338     8.15311509
                                                      -5.79446221
     0.47116514    1    -0.75227561
                         0.05555208
     0.26180741    1   -24.24856414
                         0.01775081
#
Ho GTH-PBE-q21 GTH-PBE
    4    6    0   11
     0.51034519    2    17.00694728    -1.14166376
    4  SOC
     0.43408065    2    -2.64595349     4.10374692
                                       -5.29791449
     0.43159817    3    -3.06100899     2.73161511     0.00000000
                                       -3.23209058     0.00000000
                                                       0.00000000
                         0.21869071     1.32948068    -1.61141491
                                       -4.25582283     3.81330367
                                                      -2.71013518
     0.45020006    1    -0.82014316
                         0.06631442
     0.25514026    1   -25.40966658
                         0.01966354
#
Er GTH-PBE-q22 GTH-PBE
    4    6    0   12
     0.50173422    2    17.22416099    -1.23324605
    4  SOC
     0.42576787    2    -2.61580658     4.19913757
                                       -5.42106329
     0.41793960    3    -3.15341814     3.17618553     0.00000000
                                       -3.75811340     0.00000000
                                                       0.00000000
                         2.03813991    -4.27357152     5.04555798
                                       13.45664255   -11.93996941
                                                       8.48579969
     0.43046826    1    -0.89805056
                         0.07930876
     0.24914231    1   -26.58720599
                         0.02173132
#
Tm GTH-PBE-q23 GTH-PBE
    4    6    0   13
     0.50234443    2    17.68675860    -1.59907075
    4  SOC
     0.41312714    2    -3.20033933     4.64501695
                                       -5.99669110
     0.41759033    3    -3.17289513     2.80513657     0.00000000
                                       -3.31908235     0.00000000
                                                       0.00000000
                         2.55564771    -6.24092488     7.42426380
                                       19.74462887   -17.56901479
                                                      12.48639214
     0.39281519    1    -1.44965467
                         0.11677823
     0.24385920    1   -28.31696046
                         0.02372319
#
Yb GTH-PBE-q24 GTH-PBE
    4    6    0   14
     0.49808783    2    17.08328394    -1.56295270
    4  SOC
     0.40553079    2    -3.55061134     5.03314458
                                       -6.49776171
     0.42489671    3    -3.13538311     2.14082491     0.00000000
                                       -2.53305819     0.00000000
                                                       0.00000000
                        -0.03061526     2.18978914    -2.38963165
                                       -6.56936572     5.65490060
                                                      -4.01896790
     0.44507157    1    -0.91407703
                         0.06796310
     0.23857822    1   -29.66528314
                         0.02565096
#
Lu GTH-PBE-q25 GTH-PBE
    4    6    1   14
     0.49611621    2    18.63208417    -1.51663710
    4  SOC
     0.39319895    2    -5.65573977     6.47885270
                                       -8.36416287
     0.41028936    3    -4.66078088     2.84645630     0.00000000
                                       -3.36797252     0.00000000
                                                       0.00000000
                        -1.45526864     6.93159024    -7.42062918
                                      -20.55578405    17.56041370
                                                     -12.48027930
     0.43890201    1    -1.52277808
                         0.06950855
     0.23494399    1   -32.20596727
                         0.02740377
#
Hf GTH-PBE-q12 GTH-PBE
    4    6    2
     0.56000000    2    15.52236567    -2.43356678
    3  SOC
     0.31182849    3   -10.91013059    27.37264587   -14.96156977
                                      -59.67292892    38.63060703
                                                     -30.66209376
     0.36196660    3    -9.65170049     9.22329739     0.00000000
                                      -10.91315264     0.00000000
                                                       0.00000000
                         0.25433226     2.89231345    -3.44888647
                                       -9.16410141     8.16155501
                                                      -5.80046050
     0.41579070    2    -2.74891464     0.48133335
                                       -0.54578072
                         0.07470137     0.01580845
                                       -0.01792510
#
Ta GTH-PBE-q13 GTH-PBE
    4    6    3
     0.55000000    2    13.38520167    -2.25392008
    3  SOC
     0.40088312    3    -4.43670899     4.17648934     1.87560787
                                       -2.34114813    -4.84279868
                                                       3.84385229
     0.35654936    3    -7.62442808     8.17895534     0.00000000
                                       -9.67747047     0.00000000
                                                       0.00000000
                         1.12324816     0.67250512    -0.97730022
                                       -2.42277460     2.31271443
                                                      -1.64365843
     0.41822925    2    -1.11356085    -0.87533080
                                        0.99253183
                         0.07060129     0.00876170
                                       -0.00993484
#
Ta GTH-PBE-q5
    2    0    3
     0.74400000    1     9.83934257
    3  SOC
     0.45239666    2     6.12338066    -2.16890335
                                        2.80004218
     0.75164390    2     1.64970103    -2.51481038
                                        2.97556377
                         0.67406021    -1.28529463
                                        1.52078112
     0.50114181    2   -12.42334477     9.01473381
                                      -10.22174735
                        -0.08463039     0.21860129
                                       -0.24787056
#
W GTH-PBE-q14 GTH-PBE
    4    6    4
     0.54000000    2    13.41481123    -2.21345603
    3  SOC
     0.39702790    3    -4.14121089     3.83542346     2.23317927
                                       -1.31924404    -5.76604408
                                                       4.57665561
     0.35353069    3    -7.45623626     8.11232637     0.00000000
                                       -9.59863401     0.00000000
                                                       0.00000000
                         1.42485618    -0.04791036    -0.23348205
                                       -0.33202370     0.55251937
                                                      -0.39267845
     0.41210703    2    -0.95466075    -1.06744623
                                        1.21037026
                         0.07015958     0.01318853
                                       -0.01495438
#
W GTH-PBE-q6
    2    0    4
     0.71900000    1    10.69989013
    3  SOC
     0.46755372    2     5.80350289    -2.07063257
                                        2.67317516
     0.72666463    2     1.78871915    -2.55415819
                                        3.02212073
                         0.70941707    -1.36284306
                                        1.61253765
     0.49929065    2   -10.59832562     6.44789319
                                       -7.31122365
                        -0.10122950     0.22114149
                                       -0.25075088
#
Re GTH-PBE-q15 GTH-PBE
    4    6    5
     0.53000000    2    13.46263143    -2.23492240
    3  SOC
     0.39380077    3    -3.71748055     3.15477903     2.85593500
                                        0.57237640    -7.37399245
                                                       5.85292506
     0.35253332    3    -7.05340425     7.56675835     0.00000000
                                       -8.95310922     0.00000000
                                                       0.00000000
                         0.48781828     2.51603934    -2.67688069
                                       -7.43361600     6.33465589
                                                      -4.50207359
     0.40186765    2    -0.90002359    -1.14917105
                                        1.30303749
                         0.07649146     0.01299626
                                       -0.01473637
#
Re GTH-PBE-q7
    2    0    5
     0.69300000    1    11.96194160
    3  SOC
     0.46331539    2     6.08700876    -2.19137969
                                        2.82905901
     0.70964824    2     1.81506156    -2.35412193
                                        2.78543463
                         0.69313998    -1.31294961
                                        1.55350293
     0.47606454    2   -12.39371002     8.00629664
                                       -9.07828707
                        -0.11238482     0.25543977
                                       -0.28964148
#
Os GTH-PBE-q16 GTH-PBE
    4    6    6
     0.52000000    2    13.46303008    -2.24116983
    3  SOC
     0.39012207    3    -3.27416829     2.36003137     3.61101851
                                        2.82653464    -9.32360969
                                                       7.40038577
     0.34945025    3    -6.89928214     7.52931882     0.00000000
                                       -8.90881017     0.00000000
                                                       0.00000000
                         0.54785930     2.46435737    -2.55981011
                                       -7.17756040     6.05761634
                                                      -4.30518011
     0.39284207    2    -0.94268282    -1.08157042
                                        1.22638558
                         0.08081206     0.01626524
                                       -0.01844305
#
Os GTH-PBE-q8
    2    0    6
     0.66700000    1    13.07904899
    3  SOC
     0.49576015    2     4.35033878    -1.49680274
                                        1.93236403
     0.70116140    2     1.81669550    -1.99815917
                                        2.36425382
                         0.65252379    -1.16198770
                                        1.37488239
     0.47117333    2   -10.99598697     5.97918090
                                       -6.77975387
                        -0.12910182     0.26738080
                                       -0.30318133
#
Ir GTH-PBE-q17 GTH-PBE
    4    6    7
     0.51000000    2    13.41080576    -2.34194822
    3  SOC
     0.38726411    3    -2.51628491     1.05519006     4.67505628
                                        6.24173509   -12.07094340
                                                       9.58101430
     0.34608307    3    -6.52615069     7.35318392     0.00000000
                                       -8.70040455     0.00000000
                                                       0.00000000
                         0.31484605     3.24759365    -3.24130779
                                       -9.23888776     7.67033419
                                                      -5.45134725
     0.37881290    2    -0.85595250    -1.17535111
                                        1.33272289
                         0.10055806     0.00337529
                                       -0.00382722
#
Ir GTH-PBE-q9
    2    0    7
     0.64100000    1    14.58181397
    3  SOC
     0.51010474    2     3.71524999    -1.26263745
                                        1.63005794
     0.68489160    2     1.91910152    -1.89619458
                                        2.24360769
                         0.67464477    -1.13818413
                                        1.34671763
     0.47173508    2    -8.85603130     3.17025312
                                       -3.59472915
                        -0.15231734     0.28618874
                                       -0.32450753
#
Pt GTH-PBE-q10
    1    0    9
     0.61600000    1    11.31363525
    3  SOC
     0.55090426    2     4.73349110    -1.78459401
                                        2.30390096
     0.67413781    2     2.53479850    -1.77806555
                                        2.10383553
                         0.68131890    -1.13737593
                                        1.34576135
     0.45739243    2    -7.26401101     2.55866480
                                       -2.90125318
                        -0.13179902     0.26337958
                                       -0.29864437
#
Pt GTH-PBE-q18 GTH-PBE
    3    6    9
     0.50000000    2     8.81432324    -0.29250943
    3  SOC
     0.29800221    3    -5.96838498    24.21289966   -13.78967932
                                      -53.68763413    35.60479890
                                                     -28.26043301
     0.36017182    3    -6.66865904     7.17065922     0.76690370
                                       -7.20766072    -1.81482538
                                                       1.28980604
                         0.35156689     2.38906445    -2.06064115
                                       -6.25743244     4.87636699
                                                      -3.46565992
     0.34053206    2    -8.58990455     9.41012200
                                      -10.67007542
                         0.18032724     0.02920945
                                       -0.03312040
#
Au GTH-PBE-q11 GTH-PBE
    1    0   10
     0.59000000    1    10.51717881
    3  SOC
     0.54384733    2     5.78681103    -2.25067966
                                        2.90561495
     0.60917298    2     4.28404873    -4.07128520
                                        4.81720962
                         1.21911104    -2.38187511
                                        2.81827264
     0.43730922    2    -7.40328124     3.01019307
                                       -3.41323811
                        -0.12113041     0.26246301
                                       -0.29760507
#
Au GTH-PBE-q19
    3    6   10
     0.49000000    1     8.36945885
    3  SOC
     0.29008402    3    -5.98869002    26.10502137   -15.17621948
                                      -58.38556050    39.18483021
                                                     -31.10199477
     0.36150576    3    -5.87695332     4.73144606     2.92710526
                                       -0.72513863    -6.92679530
                                                       4.92291022
                         0.18370022     2.64213942    -2.01606276
                                       -6.48265855     4.77087526
                                                      -3.39068639
     0.34037313    2    -8.80458432     9.49191532
                                      -10.76282032
                         0.15609346     0.06062427
                                       -0.06874145
#
Hg GTH-PBE-q12 GTH-PBE
    2    0   10
     0.57000000    1     8.46784734
    3  SOC
     0.52978669    2     7.37124306    -2.96994403
                                        3.83418126
     0.63516596    3     3.55116141    -1.72290935     0.00000000
                                        2.03857383     0.00000000
                                                       0.00000000
                         0.97627823    -1.29430950     0.55490433
                                        2.45527872    -1.31314330
                                                       0.93325792
     0.40798543    2    -8.61398015     5.00756120
                                       -5.67804069
                        -0.09794385     0.26202008
                                       -0.29710284
#
Tl GTH-PBE-q13 GTH-PBE
    2    1   10
     0.55000000    1    12.29058515
    3  SOC
     0.51280306    2     7.19017017    -2.86301073
                                        3.69613096
     0.57711505    3     4.76094580    -3.67332496     0.00000000
                                        4.34633671     0.00000000
                                                       0.00000000
                         1.35297827    -2.28901237     0.68067754
                                        3.84162025    -1.61077704
                                                       1.14478780
     0.39323001    2   -11.01268700     6.42159202
                                       -7.28140093
                        -0.11559254     0.30671016
                                       -0.34777664
#
Tl GTH-PBE-q3
    2    1
     0.63000000    1     1.45272083
    3  SOC
     0.78076788    3     0.37973043     1.20912802    -0.45856792
                                       -2.30683834     1.18401727
                                                      -0.93978457
     0.89705009    2    -0.02423596     0.58235582
                                       -0.68905269
                         0.18274699    -0.00921547
                                        0.01090389
     1.09379194    1     0.22764152
                         0.01256903
#
Pb GTH-PBE-q14
    2    2   10
     0.53000000    1    12.57214281
    3  SOC
     0.49554891    2     8.42980665    -3.44005610
                                        4.44109332
     0.56934785    3     4.98150638    -2.89639920     0.00000000
                                        3.42706575     0.00000000
                                                       0.00000000
                         1.61384844    -2.17491530     1.71513508
                                        5.42883283    -4.05875039
                                                       2.88457546
     0.40422413    2    -6.81491262     1.83782673
                                       -2.08389964
                        -0.14916233     0.31992302
                                       -0.36275861
#
Pb GTH-PBE-q4 GTH-PBE
    2    2
     0.61750000    1     4.67238428
    3  SOC
     0.62235881    3     0.87991768     2.08114784    -1.43125710
                                       -5.01469016     3.69548994
                                                      -2.93320421
     0.81200202    2     0.15345679     0.47889785
                                       -0.56663958
                         0.27466972    -0.02305844
                                        0.02728312
     1.02501525    1     0.30170206
                         0.01870296
#
Bi GTH-PBE-q15
    2    3   10
     0.51000000    1    13.39622231
    3  SOC
     0.48120446    2     9.54548100    -3.94511418
                                        5.09312050
     0.54894636    3     5.63359371    -3.17713769     0.00000000
                                        3.75924002     0.00000000
                                                       0.00000000
                         1.61410367    -2.26162040     1.01570961
                                        4.36698694    -2.40360764
                                                       1.70825672
     0.39730251    2    -6.03753705     0.92523553
                                       -1.04911848
                        -0.17397466     0.35675867
                                       -0.40452630
#
Bi GTH-PBE-q5 GTH-PBE
    2    3
     0.60500000    1     7.94575692
    3  SOC
     0.58223216    3     0.64373527     2.24761617    -1.44060063
                                       -5.24479711     3.71961484
                                                      -2.95235275
     0.76639400    2     0.21253292     0.37983417
                                       -0.44942585
                         0.33910609    -0.02108594
                                        0.02494923
     0.96565479    1     0.34729822
                         0.02035678
#
Po GTH-PBE-q6 GTH-PBE
    2    4
     0.59250000    1     8.13432566
    3  SOC
     0.80422357    3     0.32633408     0.10539986     0.52809414
                                        0.72287456    -1.36353322
                                                       1.08227094
     0.81703652    2     0.15801481     0.37530247
                                       -0.44406387
                         0.23215645     0.02511538
                                       -0.02971692
     0.89014943    1     0.46253238
                         0.02706723
#
At GTH-PBE-q7 GTH-PBE
    2    5
     0.58000000    1    14.21716853
    3  SOC
     0.66580683    3    -0.37891203     0.66112626     0.27884944
                                       -0.39996168    -0.71998616
                                                       0.57147130
     0.65241195    2     0.26704745     0.32622823
                                       -0.38599845
                         0.66100264    -0.11918597
                                        0.14102275
     0.85406059    1     0.45259467
                         0.03023997
#
Rn GTH-PBE-q8 GTH-PBE
    2    6
     0.57000000    1    16.20061781
    3  SOC
     0.63480802    3    -0.58199405     0.80312797     0.29738605
                                       -0.55313531    -0.76784748
                                                       0.60946004
     0.64710877    2     0.16927880     0.30517348
                                       -0.36108613
                         0.64375030    -0.05907890
                                        0.06990310
     0.80634271    1     0.51103874
                         0.03732898
#
Ac GTH-PBE-q11
    4    6    1
     0.49000000    2    50.86278137    -5.56775618
    4  SOC
     0.44384106    3    -0.55259847     0.36562397     0.25928729
                                       -0.05028771    -0.66947689
                                                       0.53138081
     0.41295605    3     5.60565848   -12.44607652     6.23145651
                                       25.10082107   -14.74631754
                                                      10.48028621
                         3.91242028    -7.34598586     2.66237628
                                       13.12433816    -6.30033219
                                                       4.47767956
     0.78831284    2     0.23978903     0.59309731
                                       -0.67250914
                         0.03667739    -0.00452836
                                        0.00513468
     0.33073367    1   -15.95176502
                         0.03132342
#
Ac GTH-PBE-q29
    6   12   11
     0.24500000    2   169.29361550    -8.10434686
    4  SOC
     0.18169972    3    -5.60439736    37.18754496   -22.25653646
                                      -84.20917336    57.46613003
                                                     -45.61232666
     0.18759093    3    -7.64352726     7.16510286    -4.96037917
                                      -16.73613886    11.73839956
                                                      -8.34254292
                        21.22252991   -27.68790106    12.15287793
                                       52.99345468   -28.75895818
                                                      20.43914436
     0.30637345    2     1.34627068    -1.80232651
                                        2.04364617
                        -0.05027721     0.44998869
                                       -0.51023922
     0.22824512    1     0.31138755
                         0.24879325
#
Th GTH-PBE-q12
    4    6    2
     0.49000000    2    49.55786674    -4.67207708
    4  SOC
     0.47719227    3    -1.54609024     0.60552239     0.52950749
                                        0.07951795    -1.36718245
                                                       1.08516743
     0.40325107    3     4.23867639    -8.43955358     4.30258971
                                       17.14897015   -10.18178561
                                                       7.23624912
                         4.75772053    -7.01713957     3.01597796
                                       13.32393485    -7.13710650
                                                       5.07237950
     0.76746894    2     0.21347167     0.59047854
                                       -0.66953973
                         0.03478725     0.00323217
                                       -0.00366493
     0.32932562    1   -16.52656902
                         0.03169487
#
Th GTH-PBE-q30
    6   12   12
     0.24500000    2   150.17650670   -10.79015291
    4  SOC
     0.18436526    3     6.60182674    24.82667391   -17.66431486
                                      -60.78210847    45.60906486
                                                     -36.20107295
     0.20655405    3     2.90515075     1.68676545    -1.08697871
                                       -3.80546158     2.57226111
                                                      -1.82811964
                        11.44740859    -5.25013473    -3.97448828
                                       -0.40487366     9.40535590
                                                      -6.68443640
     0.55016400    2     0.70703414    -0.46593421
                                        0.52831973
                         0.27713831    -0.19704555
                                        0.22342865
     0.26468612    1    -0.00859379
                         0.08437598
#
Pa GTH-PBE-q13
    4    6    1    2
     0.48500000    2    49.77782695    -4.30053945
    4  SOC
     0.44874423    3    -2.43863000     1.74395212     0.07202510
                                       -2.13428368    -0.18596800
                                                       0.14760752
     0.38796622    3     3.50631823    -8.02041241     3.95093319
                                       16.06758115    -9.34961439
                                                       6.64482061
                         5.46168367    -8.34690550     3.47934058
                                       15.66876321    -8.23362258
                                                       5.85167931
     0.72646559    2     0.37393007     0.46173976
                                       -0.52356367
                         0.04389862     0.00205702
                                       -0.00233245
     0.32684068    1   -16.76263558
                         0.03275845
#
Pa GTH-PBE-q31
    6   12   11    2
     0.24250000    2   150.19882800   -11.12938771
    4  SOC
     0.18605205    3     5.07903486    22.40141671   -15.44204321
                                      -54.03658977    39.87118412
                                                     -31.64677130
     0.20027122    3     2.86840165     4.15031405    -5.05059781
                                      -13.31919290    11.95189583
                                                      -8.49427586
                        14.80301974   -11.05517910     1.90624322
                                       16.25426855    -4.51099478
                                                       3.20598795
     0.54434590    2     0.77426912    -0.49954660
                                        0.56643260
                         0.28834071    -0.19914181
                                        0.22580559
     0.26125191    1    -0.11570212
                         0.08549848
#
U GTH-PBE-q14
    4    6    1    3
     0.48000000    2    48.87354675    -4.57722931
    4  SOC
     0.51499893    3    -0.73990759    -1.07065191     1.73529671
                                        4.20466597    -4.48051683
                                                       3.55629998
     0.41059364    3     3.52751886    -6.61726350     3.86441907
                                       14.26332017    -9.14488462
                                                       6.49931808
                         4.07214616    -4.23382451     1.41871672
                                        7.37147569    -3.35729652
                                                       2.38604847
     0.67842129    2     0.54138665     0.47808584
                                       -0.54209839
                         0.06154661    -0.00473957
                                        0.00537417
     0.32142444    1   -16.65721471
                         0.03551513
#
U GTH-PBE-q14_old
    4    6    1    3
     0.48000000    2    48.86182633    -4.59713581
    4  SOC
     0.51405537    3    -0.65017014    -1.15225083     1.84763553
                                        4.49272884    -4.77057442
                                                       3.78652606
     0.40934387    3     3.58555843    -6.88134873     4.03097788
                                       14.85308504    -9.53903470
                                                       6.77944264
                         4.13946448    -4.41470018     1.59048432
                                        7.87145752    -3.76377285
                                                       2.67493336
     0.67885536    2     0.53789816     0.48180765
                                       -0.54631852
                         0.06132316    -0.00468730
                                        0.00531490
     0.32134043    1   -16.65115610
                         0.03554891
#
U GTH-PBE-q32
    6   12   11    3
     0.24000000    2   151.02187550   -12.05891406
    4  SOC
     0.18451083    3     6.45135424    21.38433629   -15.12658774
                                      -52.21045623    39.05668160
                                                     -31.00027996
     0.21191696    3     3.72006430     1.75029297    -1.30654851
                                       -4.24617857     3.09185809
                                                      -2.19739997
                         9.06354743     0.43642879    -7.01046859
                                      -12.18775055    16.58979659
                                                     -11.79045657
     0.52782702    2     0.96820465    -0.63182672
                                        0.71642416
                         0.31518768    -0.21842699
                                        0.24767293
     0.25665503    1    -0.15828618
                         0.08867623
#
Np GTH-PBE-q15
    4    6    1    4
     0.47500000    2    47.17711220    -4.09308134
    4  SOC
     0.48369207    3    -1.30014321     0.61954051     0.64637991
                                        0.25151365    -1.66894576
                                                       1.32468463
     0.40142671    3     3.44726937    -4.41662851     2.29992159
                                        9.05484401    -5.44260785
                                                       3.86809031
                         4.62842528    -5.49771821     2.18632486
                                       10.14488537    -5.17378893
                                                       3.67703927
     0.68727669    2     0.38507600     0.54049482
                                       -0.61286352
                         0.05149446     0.00279180
                                       -0.00316560
     0.31619745    1   -16.93327340
                         0.03738437
#
Np GTH-PBE-q33
    6   12   11    4
     0.23750000    2   151.39125680   -12.82282941
    4  SOC
     0.18401127    3     7.33369457    20.33167549   -14.63754866
                                      -50.05605486    37.79398812
                                                     -29.99804809
     0.21205753    3     4.39597852     1.53903746    -1.47128562
                                       -4.27047986     3.48169724
                                                      -2.47446072
                         7.21389827     5.35215047   -11.95592974
                                      -26.23754947    28.29289367
                                                     -20.10790983
     0.51543337    2     1.15871234    -0.75460740
                                        0.85564436
                         0.33843345    -0.23277192
                                        0.26393855
     0.24971313    1    -0.21093255
                         0.09660532
#
Pu GTH-PBE-q16
    4    6    0    6
     0.47000000    2    47.05386065    -3.39784374
    4  SOC
     0.46598786    3    -2.27131898     1.35504929     0.56822623
                                       -0.82514108    -1.46715381
                                                       1.16451723
     0.37095949    3     2.12604787    -4.53511193     2.01122399
                                        8.71439802    -4.75942465
                                                       3.38254838
                         6.11369988    -9.49753692     4.31849466
                                       18.42727223   -10.21942357
                                                       7.26299862
     0.67138733    2     0.41632791     0.42152676
                                       -0.47796642
                         0.05426267     0.00503388
                                       -0.00570788
     0.31645669    1   -17.04937375
                         0.03815443
#
Pu GTH-PBE-q34
    6   12   10    6
     0.23500000    2   151.95017040   -12.95192448
    4  SOC
     0.17966939    3     8.83843700    21.41647102   -15.79253765
                                      -53.33510961    40.77615688
                                                     -32.36507116
     0.21630614    3     4.66845522     0.06752658     0.79026374
                                        1.23577007    -1.87010534
                                                       1.32909380
                         4.55153743    11.71123150   -15.58326342
                                      -39.80067301    36.87673187
                                                     -26.20848923
     0.50472158    2     1.22835902    -0.79838388
                                        0.90528222
                         0.36196951    -0.24803571
                                        0.28124605
     0.24734238    1    -0.31410592
                         0.09761850
#
Am GTH-PBE-q17
    4    6    0    7
     0.46500000    2    46.44887653    -3.30689271
    4  SOC
     0.46243064    3    -2.19968854     1.43425237     0.56205899
                                       -0.93742284    -1.45123007
                                                       1.15187816
     0.35059857    3     2.62463698    -5.50394626     3.23372903
                                       11.89602270    -7.65239956
                                                       5.43860102
                         7.86939707   -13.50815375     8.01388554
                                       29.32496031   -18.96431449
                                                      13.47803905
     0.65670875    2     0.41682240     0.43799579
                                       -0.49664054
                         0.05739867     0.00599389
                                       -0.00679643
     0.31134893    1   -17.37147973
                         0.04063134
#
Am GTH-PBE-q35
    6   12   10    7
     0.23250000    2   153.36102340   -13.56557120
    4  SOC
     0.18042891    3     8.20318779    20.67276239   -15.00963605
                                      -51.10159635    38.75471363
                                                     -30.76060032
     0.21067831    3     4.43905307     2.72665710    -2.33718712
                                       -7.11728430     5.53079418
                                                      -3.93076481
                         6.28345738     9.02380319   -14.30831416
                                      -34.49826887    33.85965124
                                                     -24.06423401
     0.49345528    2     1.37810717    -0.89158857
                                        1.01096641
                         0.38791432    -0.26455756
                                        0.29998007
     0.24177902    1    -0.38222766
                         0.10487220
#
Cm GTH-PBE-q18
    4    6    1    7
     0.46000000    2    44.45830128    -2.71887795
    4  SOC
     0.46326460    3    -2.16436562     1.49184357     0.65470856
                                       -0.86107822    -1.69045023
                                                       1.34175327
     0.39503633    3     1.25462181    -0.75701346     0.41004826
                                        1.57837822    -0.97035129
                                                       0.68963381
                         4.63017022    -4.53526957     1.63606985
                                        8.09001011    -3.87164791
                                                       2.75160073
     0.66912314    2     0.21991444     0.53681111
                                       -0.60868658
                         0.04399509     0.01666893
                                       -0.01890079
     0.30849011    1   -17.31871635
                         0.04277872
#
Cm GTH-PBE-q36
    6   12   11    7
     0.23000000    2   153.86693490   -14.51781101
    4  SOC
     0.17988987    3     9.56685306    20.12883276   -15.08850068
                                      -50.52765955    38.95834123
                                                     -30.92222472
     0.21586940    3     4.04269291     4.22682599    -3.87874356
                                      -11.45876445     9.17878255
                                                      -6.52340952
                         2.61726112    17.35830079   -19.77408755
                                      -53.45945855    46.79403184
                                                     -33.25676701
     0.47799309    2     1.71071732    -1.11919866
                                        1.26905199
                         0.42497987    -0.29261500
                                        0.33179422
     0.23572580    1    -0.36643270
                         0.11373604
#
Bk GTH-PBE-q19
    4    6    0    9
     0.45500000    2    44.64186925    -2.69685384
    4  SOC
     0.45375340    3    -2.34328551     1.81248829     0.54181679
                                       -1.45864725    -1.39896494
                                                       1.11039400
     0.32483862    3     2.58291606    -2.42067503     1.01693814
                                        4.55722823    -2.40651487
                                                       1.71032290
                         9.87871134   -19.66926291    11.39281840
                                       42.24029086   -26.96032904
                                                      19.16084907
     0.63190588    2     0.40787660     0.42192985
                                       -0.47842348
                         0.06207090     0.00936271
                                       -0.01061632
     0.30342938    1   -17.85867446
                         0.04528347
#
Bk GTH-PBE-q37
    6   12   10    9
     0.22750000    2   157.20358530   -15.01495194
    4  SOC
     0.17418124    3    10.89717621    22.11164905   -16.80972407
                                      -55.88703442    43.40252091
                                                     -34.44968298
     0.21045446    3     5.12438726     2.15881019    -2.43781778
                                       -6.61293349     5.76892980
                                                      -4.10000905
                         2.09461217    20.84537661   -24.03237727
                                      -64.67482526    56.87098453
                                                     -40.41851081
     0.46527745    2     1.79944113    -1.18965343
                                        1.34894020
                         0.46335347    -0.32401989
                                        0.36740402
     0.23449895    1    -0.44121587
                         0.11388315
#
Cf GTH-PBE-q20
    4    6    0   10
     0.45000000    2    42.65705689    -1.99079140
    4  SOC
     0.45169482    3    -2.49855036     2.04787296     0.58883859
                                       -1.68604659    -1.52037469
                                                       1.20676000
     0.38905456    3     0.49891279     0.78623141    -0.25770714
                                       -1.35932463     0.60984640
                                                      -0.43342108
                         4.24700230    -2.99977698    -0.38117409
                                        2.91478725     0.90202254
                                                      -0.64107221
     0.61157533    2     0.42969828     0.38649613
                                       -0.43824541
                         0.07041289     0.00934466
                                       -0.01059584
     0.30212964    1   -17.67294232
                         0.04703042
#
Cf GTH-PBE-q38
    6   12   10   10
     0.22500000    2   160.33879830   -16.13294644
    4  SOC
     0.17230981    3    11.50123620    21.48503767   -16.44505300
                                      -54.48494507    42.46094427
                                                     -33.70232969
     0.20728053    3     5.34829494     3.44973044    -3.74760122
                                      -10.32096060     8.86844313
                                                      -6.30284965
                         2.79911122    20.50222782   -23.83324173
                                      -63.93727583    56.39974383
                                                     -40.08359755
     0.45814869    2     2.00378277    -1.30119439
                                        1.47541575
                         0.48753867    -0.33620831
                                        0.38122439
     0.22750377    1    -0.47067063
                         0.12707295
#
Es GTH-PBE-q21
    4    6    0   11
     0.44500000    2    41.36910069    -1.61553886
    4  SOC
     0.44921419    3    -2.46227013     2.14705560     0.63813182
                                       -1.73391539    -1.64764927
                                                       1.30778106
     0.38141624    3     0.15381370     1.99990725    -1.20441633
                                       -4.37149168     2.85016925
                                                      -2.02563042
                         4.66831727    -3.62211785    -0.04070515
                                        4.21797978     0.09632596
                                                      -0.06845937
     0.60081899    2     0.42659115     0.37379402
                                       -0.42384258
                         0.07339699     0.01029864
                                       -0.01167756
     0.29832735    1   -17.84920902
                         0.04959787
#
Es GTH-PBE-q39
    6   12   10   11
     0.22250000    2   161.00235540   -16.65689444
    4  SOC
     0.16861568    3    13.86620129    22.35885774   -17.79750045
                                      -57.81279786    45.95294855
                                                     -36.47402216
     0.20657960    3     5.66510506     3.88441746    -4.00029016
                                      -11.25597775     9.46641428
                                                      -6.72783092
                         1.63283323    24.22174965   -26.23435731
                                      -72.33576466    62.08182036
                                                     -44.12187952
     0.44738123    2     2.26690718    -1.47855560
                                        1.67652446
                         0.52506665    -0.36374151
                                        0.41244410
     0.22782525    1    -0.45755416
                         0.12301067
#
Fm GTH-PBE-q22
    4    6    0   12
     0.44000000    2    39.77442009    -1.22954559
    4  SOC
     0.45062121    3    -2.25056366     1.91752152     0.91244626
                                       -0.99141569    -2.35592611
                                                       1.86995838
     0.37569626    3    -0.12292150     3.27197765    -2.11397661
                                       -7.39090483     5.00258172
                                                      -3.55536141
                         4.99058471    -3.94922513     0.22532785
                                        5.04792270    -0.53322301
                                                       0.37896443
     0.59902206    2     0.34962852     0.41940397
                                       -0.47555941
                         0.06938937     0.01470970
                                       -0.01667923
     0.29487420    1   -17.88838894
                         0.05227368
#
Fm GTH-PBE-q40
    6   12   10   12
     0.22000000    2   163.79147600   -17.49470258
    4  SOC
     0.16722316    3    14.00235465    22.69632840   -18.01552322
                                      -58.60308468    46.51588094
                                                     -36.92083590
     0.20302705    3     5.74975378     5.38216141    -5.92530072
                                      -16.23298131    14.02182072
                                                      -9.96538247
                         1.30105397    26.90725079   -29.36208518
                                      -80.72048237    69.48337541
                                                     -49.38220401
     0.44045308    2     2.45856295    -1.58020240
                                        1.79178110
                         0.55270700    -0.37863420
                                        0.42933083
     0.22281579    1    -0.48883806
                         0.13278234
#
Md GTH-PBE-q23
    4    6    0   13
     0.43500000    2    38.62992726    -1.08247653
    4  SOC
     0.44976970    3    -2.00304598     1.79624795     1.05832457
                                       -0.59758109    -2.73258229
                                                       2.16891995
     0.43071097    3    -0.04514858     1.16684513    -0.22635812
                                       -1.75748152     0.53566107
                                                      -0.38069717
                         2.00506149     0.97125918    -2.21993589
                                       -4.84506405     5.25332713
                                                      -3.73356750
     0.58425155    2     0.37529137     0.43167387
                                       -0.48947216
                         0.07747852     0.01198593
                                       -0.01359077
     0.29044722    1   -18.06344708
                         0.05547731
#
Md GTH-PBE-q41
    6   12   10   13
     0.21750000    2   164.84178560   -17.72713303
    4  SOC
     0.16451875    3    15.18118318    24.04917018   -19.32054140
                                      -62.47220814    49.88542339
                                                     -39.59532730
     0.20313527    3     5.79843419     5.63524451    -5.47750817
                                      -15.78692695    12.96215013
                                                      -9.21226895
                         0.94757291    27.96942011   -28.64095471
                                      -80.77668578    67.77686925
                                                     -48.16938102
     0.42748516    2     2.72674274    -1.79169651
                                        2.03159289
                         0.60657742    -0.42465154
                                        0.48150959
     0.21769826    1    -0.55790731
                         0.14408460
#
No GTH-PBE-q24
    4    6    0   14
     0.43000000    2    37.58090142    -0.67005129
    4  SOC
     0.44556594    3    -2.06739131     1.85889273     1.22826091
                                       -0.40205367    -3.17135603
                                                       2.51718581
     0.44053299    3    -0.24703264     1.14977253    -0.13673728
                                       -1.58807591     0.32357945
                                                      -0.22996964
                         1.66627053     1.37900177    -2.06102523
                                       -5.06294958     4.87727588
                                                      -3.46630587
     0.58685336    2     0.28132974     0.45492737
                                       -0.51583915
                         0.06912608     0.01928616
                                       -0.02186845
     0.28747796    1   -18.24347081
                         0.05829061
#
No GTH-PBE-q42
    6   12   10   14
     0.21500000    2   164.49178550   -17.49236577
    4  SOC
     0.16501453    3    13.99527229    25.39710570   -19.88371932
                                      -65.12839436    51.33954253
                                                     -40.74949858
     0.20043639    3     4.50131504    10.07888376    -9.44399224
                                      -27.64830288    22.34856462
                                                     -15.88324359
                         0.32821413    31.17757768   -32.02668964
                                      -90.20936132    75.78898043
                                                     -53.86363100
     0.43403789    2     2.62261276    -1.59475356
                                        1.80828056
                         0.58429835    -0.37617265
                                        0.42653969
     0.21793802    1    -0.68417292
                         0.14030838
#
Lr GTH-PBE-q25
    4    7    0   14
     0.42500000    2    36.54066192    -0.00767878
    4  SOC
     0.43955777    3    -2.32658221     2.05020483     1.43364824
                                       -0.31497401    -3.70166384
                                                       2.93810459
     0.39882431    3    -0.77935366     3.19652746    -0.87079739
                                       -5.23192716     2.06068274
                                                      -1.46453817
                         3.22293293    -0.12978470    -1.62340912
                                       -2.54916527     3.84168715
                                                      -2.73030746
     0.55846666    2     0.34401143     0.42048558
                                       -0.47678583
                         0.08747864     0.01841340
                                       -0.02087883
     0.28431075    1   -18.65156321
                         0.06138781
#
Lr GTH-PBE-q43
    6   13   10   14
     0.21250000    2   170.63112790   -19.14775592
    4  SOC
     0.15729110    3    16.72930484    29.90547543   -23.91335183
                                      -77.50287243    61.74400893
                                                     -49.00778777
     0.18921395    3     9.61249475     0.70562193    -0.89206691
                                       -2.32005848     2.11101562
                                                      -1.50031001
                        -0.81362725    41.86341114   -44.09515589
                                     -122.94516578   104.34818412
                                                     -74.16080878
     0.50058902    2     1.64930176    -0.13507301
                                        0.15315840
                         0.36556112    -0.00830132
                                        0.00941281
     0.22891982    1    -0.78476961
                         0.11316212
#
################################################################################
#
# PBESOL functional
#
################################################################################
#
B GTH-PBESOL-q3
    2    1
     0.42188166    2    -5.99194495     0.94658199
    2  SOC
     0.37186069    1     6.29208376
     0.36287582    1     0.00000000
                         0.00086825
#
################################################################################
#
# OLYP functional
#
################################################################################
#
H GTH-OLYP-q1 GTH-OLYP
    1
     0.20000000    2    -4.16025705     0.71696182
    0  SOC
#
B GTH-OLYP-q3
    2    1
     0.40824397    2    -5.84551716     0.92100194
    2  SOC
     0.37035120    1     6.31003106
     0.35773831    1     0.00000000
                         0.00090143
#
C GTH-OLYP-q4
    2    2
     0.33266812    2    -8.65195820     1.32052627
    2  SOC
     0.30204607    1     9.62061855
     0.29182215    1     0.00000000
                         0.00206435
#
N GTH-OLYP-q5
    2    3
     0.28091145    2   -12.16718730     1.82099926
    2  SOC
     0.25510834    1    13.61560292
     0.24679335    1     0.00000000
                         0.00408137
#
O GTH-OLYP-q6 GTH-OLYP
    2    4
     0.24340006    2   -16.34721549     2.41772603
    2  SOC
     0.22079018    1    18.31443918
     0.22008988    1     0.00000000
                         0.00674268
#
F GTH-OLYP-q7
    2    5
     0.21382039    2   -21.28598900     3.12167577
    2  SOC
     0.19453412    1    23.73308173
     0.16302766    1     0.00000000
                         0.01894060
#
P GTH-OLYP-q5
    2    3
     0.43000000    1    -4.69763642
    2  SOC
     0.39666347    2    10.63544240    -3.29388139
                                        4.25238258
     0.44942590    2     2.88712442     0.00000000
                                        0.00000000
                         0.02517608    -0.01988705
                                        0.02353068
#
S GTH-OLYP-q6
    2    4
     0.42000000    1    -5.70095751
    2  SOC
     0.36360282    2    13.23499116    -4.28266416
                                        5.52889566
     0.40854250    2     3.70359686     0.00000000
                                        0.00000000
                         0.03453799    -0.02612078
                                        0.03090652
#
Cl GTH-OLYP-q7
    2    5
     0.41000000    1    -6.18936120
    2  SOC
     0.33820768    2    15.35745265    -4.99108675
                                        6.44346529
     0.37732312    2     4.35487695     0.00000000
                                        0.00000000
                         0.04504656    -0.03225999
                                        0.03817053
#
