################################################################################
#
# Potential data base file for CP2K (Quickstep)
#
################################################################################
#
# Pseudopotentials of Goedecker, Teter and Hutter (GTH)
# -----------------------------------------------------
#
# History:    - Creation (12.12.1999, Matthias Krack)
#             - Electronic configurations added (11.05.2000, MK)
#             - GTH-PP for first-row transition metal added (18.03.2003, MK)
#             - Automatic update (16.12.2003, MK)
#             - PBE GTH-PPs for the Lanthanides added (30.11.2012, MK)
#             - Set default GTH PPs (12.08.2016, MK)
#             - 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))
#  .       .               .
#  .       .               .
#  .       .               .
# r(nprj) nprj_ppnl(nprj) ((hprj_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
#
################################################################################
#
# BLYP functional
#
################################################################################
#
H GTH-BLYP-q1 GTH-BLYP
    1
     0.20000000    2    -4.19596147     0.73049821
    0
#
He GTH-BLYP-q2 GTH-BLYP
    2
     0.20000000    2    -9.14737128     1.71197792
    0
#
Li GTH-BLYP-q3 GTH-BLYP
    3
     0.40000000    4   -14.11679756     9.67724760    -1.79886461     0.08624957
    0
#
Be GTH-BLYP-q4 GTH-BLYP
    4
     0.32500000    4   -24.08977105    17.30275720    -3.34561015     0.16601474
    0
#
B GTH-BLYP-q3 GTH-BLYP
    2    1
     0.42407181    2    -6.10890761     0.98586957
    2
     0.37086003    1     6.34339578
     0.34936716    0
#
C GTH-BLYP-q4 GTH-BLYP
    2    2
     0.33806609    2    -9.13626871     1.42925956
    2
     0.30232223    1     9.66551228
     0.28637912    0
#
N GTH-BLYP-q5 GTH-BLYP
    2    3
     0.28287094    2   -12.73646720     1.95107926
    2
     0.25523449    1    13.67893172
     0.24313253    0
#
O GTH-BLYP-q6 GTH-BLYP
    2    4
     0.24342026    2   -16.99189235     2.56614206
    2
     0.22083140    1    18.38885102
     0.21720070    0
#
F GTH-BLYP-q7 GTH-BLYP
    2    5
     0.21384014    2   -21.90241518     3.27597572
    2
     0.19459028    1    23.79658295
     0.18786326    0
#
Ne GTH-BLYP-q8 GTH-BLYP
    2    6
     0.19000000    2   -28.61959769     4.15549516
    2
     0.17823784    2    27.95784886     0.83365601
                                       -1.07624528
     0.15276372    1     0.33116999
#
Na GTH-BLYP-q1
    1
     0.69776697    1    -1.37447347
    2
     0.73364610    2     1.58066758    -0.03315581
                                        0.04280397
     0.89412359    1     0.32941028
#
Na GTH-BLYP-q9 GTH-BLYP
    3    6
     0.18000000    2    -8.89736724     3.95542446
    2
     0.14032741    1    38.64061548
     0.14772823    1    -7.58510197
#
Na GTH-BLYP-q9_old
    3    6
     0.23396502    2    -2.68948346    -0.50947770
    2
     0.14977690    1    32.85715860
     0.12319901    1   -13.99900802
#
Mg GTH-BLYP-q10 GTH-BLYP
    4    6
     0.20098403    2   -19.33029317     2.86005812
    2
     0.14107967    1    40.67473040
     0.10456134    1   -10.73617094
#
Mg GTH-BLYP-q2
    2
     0.61697665    1    -3.24611921
    2
     0.60092845    2     3.64729616    -0.76401307
                                        0.98633664
     0.70217751    1     0.94952736
#
Al GTH-BLYP-q3 GTH-BLYP
    2    1
     0.45000000    1    -7.66683204
    2
     0.49773601    2     6.46303151    -1.58386957
                                        2.04476682
     0.56545785    1     1.81826715
#
Si GTH-BLYP-q4 GTH-BLYP
    2    2
     0.44000000    1    -6.25958674
    2
     0.44465247    2     8.31460936    -2.33277947
                                        3.01160535
     0.50279207    1     2.33241791
#
P GTH-BLYP-q5 GTH-BLYP
    2    3
     0.43000000    1    -5.92953335
    2
     0.40286945    2    10.41483915    -3.13168757
                                        4.04299126
     0.45245811    1     2.95358263
#
S GTH-BLYP-q6 GTH-BLYP
    2    4
     0.42000000    1    -5.98880045
    2
     0.36973266    2    12.55648450    -3.91290459
                                        5.05153810
     0.41287571    1     3.58772114
#
Cl GTH-BLYP-q7 GTH-BLYP
    2    5
     0.41000000    1    -6.35705212
    2
     0.34311864    2    14.68134781    -4.64034312
                                        5.99065720
     0.38113517    1     4.22292428
#
Ar GTH-BLYP-q8 GTH-BLYP
    2    6
     0.40000000    1    -7.10000000
    2
     0.32154985    2    16.80099893    -5.32871056
                                        6.87933576
     0.35544413    1     4.87719604
#
K GTH-BLYP-q9 GTH-BLYP
    3    6
     0.40000000    2    -2.88013377    -1.21143500
    2
     0.30634684    2    17.51002284    -5.61037883
                                        7.24296793
     0.32105825    2     6.90321066    -2.19925814
                                        2.60219733
#
Ca GTH-BLYP-q10 GTH-BLYP
    4    6
     0.39000000    2    -4.03561119    -1.61257448
    3
     0.28936507    2    20.42566030    -7.23674813
                                        9.34260166
     0.31177925    2     7.53169389    -2.08537690
                                        2.46745122
     0.69141876    1     0.05522276
#
Sc GTH-BLYP-q11 GTH-BLYP
    4    6    1
     0.37687548    2     9.84009747    -1.16586015
    3
     0.35998897    2     3.30610316     2.54796421
                                       -3.28940766
     0.22099375    2    -0.43488219     6.46425824
                                       -7.64861350
     0.23338021    1   -10.13403863
#
Ti GTH-BLYP-q12 GTH-BLYP
    4    6    2
     0.38000000    2     8.71144218    -0.70028677
    3
     0.33777078    2     2.57526386     3.69297065
                                       -4.76760461
     0.24253135    2    -4.63054123     8.87087502
                                      -10.49616087
     0.24331694    1    -9.40665268
#
V GTH-BLYP-q13 GTH-BLYP
    4    6    3
     0.37500000    2     7.09567441    -0.32225919
    3
     0.32984260    2     1.99203993     4.73916314
                                       -6.11823331
     0.24621323    2    -5.54974480     8.76420181
                                      -10.36994343
     0.24115328    1    -9.44436162
#
Cr GTH-BLYP-q14 GTH-BLYP
    3    6    5
     0.37000000    2     5.81498098    -0.67571792
    3
     0.31671447    2     2.60698311     5.06715750
                                       -6.54167220
     0.23961307    2    -4.66668172     7.57290229
                                       -8.96037883
     0.22092939    1   -11.18989241
#
Mn GTH-BLYP-q15 GTH-BLYP
    4    6    5
     0.36500000    2     6.17870291    -0.44450988
    3
     0.29784355    2     1.69433567     6.39053422
                                       -8.25014420
     0.24582549    2    -6.53742440     7.84591162
                                       -9.28340782
     0.22244655    1   -11.66961579
#
Fe GTH-BLYP-q16 GTH-BLYP
    4    6    6
     0.36000000    2     7.01102510    -0.22274667
    3
     0.27620533    2     0.61149598     7.99235733
                                      -10.31808895
     0.24713005    2    -8.71055592     8.68416924
                                      -10.27524761
     0.22353398    1   -12.41150401
#
Co GTH-BLYP-q17 GTH-BLYP
    4    6    7
     0.35500000    2     3.43297847     0.61491331
    3
     0.27555403    2     0.19362864     9.18128009
                                      -11.85298162
     0.24312795    2    -8.92204873     9.23263048
                                      -10.92419570
     0.22362456    1   -11.75878279
#
Ni GTH-BLYP-q18 GTH-BLYP
    4    6    8
     0.35000000    2     4.07602942     0.23312841
    3
     0.25714683    2     0.09878517    10.14864210
                                      -13.10184061
     0.24975271    2    -8.34861501     7.26677120
                                       -8.59815964
     0.21247761    1   -13.67293293
#
Cu GTH-BLYP-q11 GTH-BLYP
    1    0   10
     0.53000000    0
    3
     0.43078178    3    10.29852604    -6.05837033     1.70054574
                                       10.58726032    -4.39079021
                                                       3.48508169
     0.55080544    2     2.74458701    -0.86295510
                                        1.02106225
     0.26558610    1   -12.66158247
#
Cu GTH-BLYP-q19
    3    6   10
     0.34500000    2     0.00729001     1.26270041
    3
     0.25025136    2     0.78207556    10.69795592
                                      -13.81100171
     0.22145058    2   -13.10305990    14.86802590
                                      -17.59208548
     0.21548515    1   -12.45211713
#
Zn GTH-BLYP-q12 GTH-BLYP
    2    0   10
     0.51000000    0
    3
     0.39855016    3    11.95945993    -8.66522085     2.80807710
                                       15.75408976    -7.25042390
                                                       5.75484556
     0.54556247    2     2.51050004    -0.44032483
                                        0.52099937
     0.25168465    1   -14.32309848
#
Zn GTH-BLYP-q20
    4    6   10
     0.34000000    2     0.69029187     1.23803712
    3
     0.24511603    2    -1.58948215    12.87573398
                                      -16.62250109
     0.23151219    2   -10.91449266     9.54377070
                                      -11.29234178
     0.20860634    1   -14.24182139
#
Ga GTH-BLYP-q13 GTH-BLYP
    2    1   10
     0.49000000    0
    3
     0.39467346    3    12.48450375    -7.17987436     1.92607131
                                       12.40193316    -4.97309473
                                                       3.94727157
     0.58027448    2     1.59145844     0.32153951
                                       -0.38045068
     0.23867979    1   -16.11979876
#
Ga GTH-BLYP-q3
    2    1
     0.56000000    0
    3
     0.57532960    3     2.06609505     1.21904266    -0.87326380
                                       -2.99414098     2.25475743
                                                      -1.78965823
     0.67710486    2     0.14524752     0.72041368
                                       -0.85240496
     0.94154174    1     0.10030959
#
Ge GTH-BLYP-q4 GTH-BLYP
    2    2
     0.54000000    0
    3
     0.42737427    3     7.55651469    -0.07090242    -1.72596317
                                       -2.71574467     4.45641774
                                                      -3.53717192
     0.57489897    2     0.80056266     0.71307408
                                       -0.84372063
     0.78547258    1     0.21870790
#
As GTH-BLYP-q5 GTH-BLYP
    2    3
     0.52000000    0
    3
     0.45698284    3     5.57976394     0.11777254    -0.99243898
                                       -1.76624582     2.56246643
                                                      -2.03389468
     0.55494716    2     1.00097684     0.68325082
                                       -0.80843328
     0.68498074    1     0.34818137
#
Se GTH-BLYP-q6 GTH-BLYP
    2    4
     0.51000000    0
    3
     0.43367514    3     6.43369922    -0.22063995    -1.17545323
                                       -1.62702987     3.03500718
                                                      -2.40896227
     0.47248310    2     2.23970327     0.40191857
                                       -0.47555647
     0.60911821    1     0.49494679
#
Br GTH-BLYP-q7 GTH-BLYP
    2    5
     0.50000000    0
    3
     0.43612268    3     6.23128313     0.21889262    -1.12467641
                                       -2.11187548     2.90390201
                                                      -2.30490077
     0.45379296    2     2.46574310     0.49636818
                                       -0.58731075
     0.53315603    1     0.74724056
#
Kr GTH-BLYP-q8 GTH-BLYP
    2    6
     0.50000000    0
    3
     0.42362066    3     6.37382917     0.49858632    -1.41991709
                                       -2.95316749     3.66621015
                                                      -2.90996409
     0.43391338    2     2.63230352     0.64517712
                                       -0.76338386
     0.51315369    1     0.70954468
#
Rb GTH-BLYP-q9
    3    6
     0.49000000    2     5.75447985    -0.48374192
    3
     0.25518839    2    30.72215135   -12.19094908
                                       15.73844759
     0.33800292    1     4.39362252
     0.58372659    1     0.18537105
#
Sr GTH-BLYP-q10 GTH-BLYP
    4    6
     0.48000000    2     6.75494554    -1.12140847
    3
     0.27574829    2    20.90591056    -7.66251431
                                        9.89226343
     0.27951874    2    11.83709620   -11.14034857
                                       13.18143819
     0.53145306    1     0.32212393
#
Y GTH-BLYP-q11 GTH-BLYP
    4    6    1
     0.47500000    2    12.12173196    -2.23590662
    3
     0.24768420    2    22.15257967    -7.66355161
                                        9.89360259
     0.29467778    2     5.85308697    -5.77308732
                                        6.83080904
     0.45213814    2     1.12663777    -1.27929123
                                        1.45057990
#
Zr GTH-BLYP-q12 GTH-BLYP
    4    6    2
     0.47000000    2     7.68287419    -1.83482397
    3
     0.26098833    2    22.58608773    -8.39346102
                                       10.83591158
     0.28950143    2     8.50003567    -5.29014738
                                        6.25938680
     0.57680903    2     0.04082300     0.26426022
                                       -0.29964293
#
Mo GTH-BLYP-q14 GTH-BLYP
    3    6    5
     0.43000000    2    28.10289595    -4.36588317
    3
     0.34238035    2    -0.06850864     2.98011244
                                       -3.84730862
     0.41442576    2    -0.15765657    -0.95307240
                                        1.12769047
     0.42539061    2     1.13742343    -2.64549690
                                        2.99971152
#
Ru GTH-BLYP-q16 GTH-BLYP
    3    6    7
     0.43000000    2    26.85974124    -5.05749455
    3
     0.33894617    2    -0.50446833     3.70095133
                                       -4.77790762
     0.42823486    2     0.15024145    -1.32523126
                                        1.56803477
     0.43752832    2     1.52972881    -2.96335285
                                        3.36012630
#
Rh GTH-BLYP-q17 GTH-BLYP
    3    6    8
     0.42000000    2    27.21859006    -5.26666561
    3
     0.33775970    2    -0.37805742     3.85156484
                                       -4.97234883
     0.40476998    2    -0.26519119    -0.79135076
                                        0.93633885
     0.43219447    2     1.68856873    -3.13689837
                                        3.55690842
#
Pd GTH-BLYP-q18 GTH-BLYP
    2    6   10
     0.41000000    2    26.65379780    -4.86862194
    3
     0.33643267    2    -0.66218232     4.36901475
                                       -5.64037379
     0.41121734    2    -0.16335747    -0.94666822
                                        1.12011294
     0.44038158    2     1.64374463    -3.09751466
                                        3.51225149
#
Ag GTH-BLYP-q11 GTH-BLYP
    1    0   10
     0.57000000    1     0.27329871
    3
     0.53113691    3     9.45447859    -4.73986410     0.59512748
                                        7.08711317    -1.53661256
                                                       1.21964841
     0.62572123    2     3.90619533    -1.71774975
                                        2.03246891
     0.40832785    2    -2.77610164    -0.36178338
                                        0.41022380
#
Ag GTH-BLYP-q19
    3    6   10
     0.40000000    2    24.37631116    -4.16834876
    3
     0.31731325    2     0.69929536     4.25162666
                                       -5.48882642
     0.41393281    2    -0.30767006    -0.44941724
                                        0.53175765
     0.45569543    2     1.75618266    -3.09368795
                                        3.50791241
#
In GTH-BLYP-q13 GTH-BLYP
    2    1   10
     0.53000000    1     3.57797710
    3
     0.47995615    3    11.20107941    -6.26219645     1.21444270
                                       10.05975207    -3.13567758
                                                       2.48886692
     0.56617182    2     4.78019859    -2.24059762
                                        2.65111085
     0.37728287    2    -4.24415179    -0.59846912
                                        0.67860020
#
In GTH-BLYP-q3
    2    1
     0.61000000    1     3.20683546
    3
     0.72668632    3     0.70288050     1.01907230    -0.54239646
                                       -2.19782459     1.40046163
                                                      -1.11158196
     0.85226033    2     0.01176733     0.48673996
                                       -0.57591849
     1.06121328    1     0.15160282
#
Sb GTH-BLYP-q5 GTH-BLYP
    2    3
     0.59000000    1     7.71520811
    3
     0.56281517    3     1.46135468     1.28119333    -0.94856576
                                       -3.19685579     2.44918625
                                                      -1.94398132
     0.64746318    2     0.46086693     0.43857096
                                       -0.51892416
     0.85920174    1     0.31255771
#
Te GTH-BLYP-q6 GTH-BLYP
    2    4
     0.57500000    1     8.54112001
    3
     0.57657850    3     1.45132840     0.97095302    -0.49085149
                                       -2.05186498     1.26737311
                                                      -1.00594622
     0.60434855    2     0.70106128     0.40189978
                                       -0.47553423
     0.79625711    1     0.38178821
#
I GTH-BLYP-q7 GTH-BLYP
    2    5
     0.56000000    1    13.73638610
    3
     0.58939001    3     0.21393489     0.88456526    -0.02067022
                                       -1.17558896     0.05337028
                                                      -0.04236135
     0.54232717    2     0.28721066     0.46932671
                                       -0.55531485
     0.77040507    1     0.30709615
#
Xe GTH-BLYP-q8
    2    6
     0.56000000    1     8.59949070
    3
     0.49592925    3     2.81672987     1.44752782    -1.40786958
                                       -4.15865041     3.63510361
                                                      -2.88527404
     0.48311258    1     2.11273917
     0.69721940    1     0.50983839
#
Cs GTH-BLYP-q9
    3    6
     0.54000000    2    33.07782844    -2.80842052
    4
     0.45607453    2    -3.56881717     2.63732767
                                       -3.40477539
     0.36820141    2    -5.01061387     0.77988492
                                       -0.92277228
     0.75684499    1     0.20052308
     0.58463791    1    -1.70870691
#
Ba GTH-BLYP-q10 GTH-BLYP
    4    6
     0.54000000    2    24.53545105    -2.47807384
    4
     0.48569784    2     0.09387924     1.15171729
                                       -1.48686063
     0.39622579    2     0.84537359    -1.74106987
                                        2.06006165
     0.66014281    1     0.42755776
     0.30049122    1   -19.65179380
#
Ba GTH-BLYP-q2
    2
     1.20000000    0
    3
     1.03638675    3     1.42164527    -0.44534139    -0.07451309
                                        0.45373771     0.19239197
                                                      -0.15270639
     1.25440147    2     0.73041014    -0.29211206
                                        0.34563165
     0.87881774    1    -0.85472852
#
Ce GTH-BLYP-q12 GTH-BLYP
    4    6    1    1
     0.52864798    2    19.13548995    -0.59690386
    4
     0.52094620    2    -0.55473220     1.70057992
                                       -2.19543924
     0.45984533    2    -0.92453341     1.99827739
                                       -2.36439369
     0.67639660    1     0.10451755
     0.30436847    1   -17.54504586
#
Gd GTH-BLYP-q18 GTH-BLYP
    4    6    1    7
     0.52166157    2    18.16996137    -0.54313383
    4
     0.45763555    2    -2.89847533     3.94756205
                                       -5.09628069
     0.45903313    3    -3.22259659     2.93618073    -0.30453227
                                       -3.98113568     0.72065489
                                                      -0.51217326
     0.48380572    1    -0.84857548
     0.27560057    1   -22.19038178
#
W GTH-BLYP-q14 GTH-BLYP
    4    6    4
     0.54000000    2     6.68380890    -0.31709158
    3
     0.39238521    3    -1.92936041     4.30955402     2.23540296
                                       -1.92772713    -5.77178561
                                                       4.58121281
     0.39242369    2    -5.22265341     6.11414396
                                       -7.23435270
     0.37281208    2    -6.46250589     7.70934709
                                       -8.74157793
#
Au GTH-BLYP-q11 GTH-BLYP
    1    0   10
     0.59000000    1    10.81589381
    3
     0.52572747    2     6.71867015    -2.66620610
                                        3.44205728
     0.60526597    2     4.32132354    -4.09465015
                                        4.84485539
     0.43903160    2    -7.45153985     3.06802476
                                       -3.47881309
#
Au GTH-BLYP-q19
    3    6   10
     0.49000000    2     9.10574107    -0.31170627
    3
     0.28881911    3    -5.84394846    25.76364500   -14.96878334
                                      -57.60745060    38.64923240
                                                     -30.67687719
     0.35793393    2    -6.87735522     7.88320706
                                       -9.32753639
     0.33407191    2    -8.71118504     9.49731666
                                      -10.76894486
#
Pb GTH-BLYP-q4
    2    2
     0.61750000    1     5.33520808
    3
     0.62372070    3     0.77431309     2.33644883    -1.62011026
                                       -5.65145200     4.18310671
                                                      -3.32023802
     0.81430558    2     0.08023553     0.61572271
                                       -0.72853293
     0.95575855    1     0.39678153
#
Bi GTH-BLYP-q15
    2    3   10
     0.51000000    1    13.61415171
    3
     0.47534187    2    10.01031001    -4.17527106
                                        5.39025176
     0.54300464    2     5.84572146    -3.45677684
                                        4.09011352
     0.39904006    2    -5.95513083     0.85300728
                                       -0.96721934
#
Bi GTH-BLYP-q5 GTH-BLYP
    2    3
     0.60500000    1     8.13212850
    3
     0.59003694    3     0.58526544     2.28713930    -1.46002100
                                       -5.32740847     3.76975801
                                                      -2.99215266
     0.77185023    2     0.16538598     0.48986468
                                       -0.57961570
     0.93145569    1     0.39528270
#
################################################################################
#
# BP functional
#
################################################################################
#
H GTH-BP-q1 GTH-BP
    1
     0.20000000    2    -4.18576872     0.72693955
    0
#
He GTH-BP-q2 GTH-BP
    2
     0.20000000    2    -9.13007508     1.70547521
    0
#
Li GTH-BP-q3 GTH-BP
    3
     0.40000000    4   -14.06056862     9.58589939    -1.77248513     0.08455183
    0
#
Be GTH-BP-q4 GTH-BP
    4
     0.32500000    4   -24.05179710    17.25001598    -3.33397632     0.16556913
    0
#
B GTH-BP-q3 GTH-BP
    2    1
     0.41689069    2    -5.92229378     0.92456157
    2
     0.37107711    1     6.29599634
     0.35853552    0
#
C GTH-BP-q4 GTH-BP
    2    2
     0.33679692    2    -8.86848685     1.35447596
    2
     0.30241022    1     9.62271161
     0.28961690    0
#
N GTH-BP-q5 GTH-BP
    2    3
     0.28309178    2   -12.45088915     1.87519554
    2
     0.25528977    1    13.63656889
     0.24443710    0
#
O GTH-BP-q6 GTH-BP
    2    4
     0.24401839    2   -16.70590802     2.49292672
    2
     0.22086487    1    18.34759371
     0.21290362    0
#
F GTH-BP-q7 GTH-BP
    2    5
     0.21448854    2   -21.61832219     3.20543202
    2
     0.19461036    1    23.75712327
     0.18640875    0
#
Ne GTH-BP-q8 GTH-BP
    2    6
     0.19000000    2   -27.05603079     4.33563519
    2
     0.17609718    2    28.15075707     0.83365601
                                       -1.07624528
     0.19349680    1    -0.24066336
#
Na GTH-BP-q1
    1
     0.75473588    1    -2.13985326
    2
     0.72207334    2     2.08932802    -0.33891173
                                        0.43753317
     0.87531990    1     0.49722485
#
Na GTH-BP-q9 GTH-BP
    3    6
     0.18000000    2    -8.85742877     3.94154982
    2
     0.14021499    1    38.68824949
     0.14800365    1    -7.53706805
#
Na GTH-BP-q9_old
    3    6
     0.21033221    2     1.69258850     0.50357981
    2
     0.13173054    1    40.12933608
     0.14067337    1   -12.69190352
#
Mg GTH-BP-q10 GTH-BP
    4    6
     0.20344528    2   -19.14863290     2.82311627
    2
     0.14101308    1    40.61528144
     0.10485644    1   -10.81236006
#
Al GTH-BP-q3 GTH-BP
    2    1
     0.45000000    1    -7.51792352
    2
     0.48626591    2     6.97775636    -1.91568248
                                        2.47313545
     0.56192765    1     1.85584177
#
Si GTH-BP-q4 GTH-BP
    2    2
     0.44000000    1    -6.31784112
    2
     0.43603553    2     8.90462481    -2.69406309
                                        3.47802049
     0.49841919    1     2.41937486
#
P GTH-BP-q5 GTH-BP
    2    3
     0.43000000    1    -5.89229627
    2
     0.39681575    2    10.93288778    -3.45803253
                                        4.46430080
     0.44912129    1     3.03004831
#
S GTH-BP-q6 GTH-BP
    2    4
     0.42000000    1    -6.03304243
    2
     0.36545997    2    13.05126503    -4.21706733
                                        5.44421051
     0.41024550    1     3.67822896
#
Cl GTH-BP-q7 GTH-BP
    2    5
     0.41000000    1    -6.39460178
    2
     0.34001772    2    15.11347341    -4.90811514
                                        6.33634940
     0.37914105    1     4.30633607
#
Ar GTH-BP-q8 GTH-BP
    2    6
     0.40000000    1    -7.10000000
    2
     0.31922565    2    17.15805529    -5.55332249
                                        7.16930851
     0.35391145    1     4.94347383
#
K GTH-BP-q9 GTH-BP
    3    6
     0.40000000    2    -3.20803677    -1.13958016
    2
     0.30531669    2    17.82113209    -5.62459155
                                        7.26131647
     0.31728644    2     7.27073764    -2.45836276
                                        2.90877405
#
Ca GTH-BP-q10 GTH-BP
    4    6
     0.39000000    2    -5.15066460    -1.27635919
    3
     0.29180561    2    20.37501847    -6.39225402
                                        8.25236446
     0.30585091    2     8.08679088    -2.35194765
                                        2.78286199
     0.69084590    1     0.05057463
#
Sc GTH-BP-q11 GTH-BP
    4    6    1
     0.38500000    2     8.15113811    -0.54578786
    3
     0.36408582    2     2.63374349     3.01189542
                                       -3.88834027
     0.24337293    2    -2.59643301     7.97785436
                                       -9.43952457
     0.25316272    1    -8.16168667
#
Ti GTH-BP-q12 GTH-BP
    4    6    2
     0.38000000    2     8.75240544    -0.72051287
    3
     0.33725619    2     2.57793688     3.67192953
                                       -4.74044064
     0.24244686    2    -4.63571761     8.84700754
                                      -10.46792049
     0.24327738    1    -9.40815808
#
V GTH-BP-q13 GTH-BP
    4    6    3
     0.37500000    2     7.15179161    -0.34356487
    3
     0.32978741    2     1.96706044     4.72624160
                                       -6.10155167
     0.24617385    2    -5.58236403     8.79691014
                                      -10.40864444
     0.24115908    1    -9.44742960
#
Cr GTH-BP-q14 GTH-BP
    3    6    5
     0.37000000    2     5.65864275    -0.68098927
    3
     0.31450745    2     2.82535174     5.00194988
                                       -6.45748952
     0.24079099    2    -4.43722064     7.25268232
                                       -8.58148945
     0.22035720    1   -11.18549799
#
Mn GTH-BP-q15 GTH-BP
    4    6    5
     0.36500000    2     6.08697327    -0.45767880
    3
     0.29664936    2     1.82641604     6.37301365
                                       -8.22752524
     0.24691092    2    -6.51555304     7.91051030
                                       -9.35984202
     0.22235797    1   -11.61828411
#
Fe GTH-BP-q16 GTH-BP
    4    6    6
     0.36000000    2     6.76627078    -0.22960467
    3
     0.27801949    2     0.64092335     7.90310889
                                      -10.20286971
     0.25211093    2    -7.91342590     7.66613465
                                       -9.07069285
     0.22286543    1   -12.38774903
#
Co GTH-BP-q17 GTH-BP
    4    6    7
     0.35500000    2     3.11870813     0.60978675
    3
     0.27344715    2     0.60869990     9.05959793
                                      -11.69589063
     0.24486485    2    -8.73194160     9.19441838
                                      -10.87898254
     0.22321373    1   -11.65940289
#
Ni GTH-BP-q18 GTH-BP
    4    6    8
     0.35000000    2     1.98092026     0.67873534
    3
     0.26151729    2     0.64051423     9.97129765
                                      -12.87288991
     0.22299669    2   -11.03584887    12.32415881
                                      -14.58214136
     0.21531615    1   -12.60737765
#
Cu GTH-BP-q11 GTH-BP
    1    0   10
     0.53000000    0
    3
     0.42826021    3     9.92997278    -6.73378071     2.06123370
                                       12.04587038    -5.32208253
                                                       4.22427205
     0.56179993    2     2.52706517    -0.76026621
                                        0.89955911
     0.26481830    1   -12.79028986
#
Zn GTH-BP-q12 GTH-BP
    2    0   10
     0.51000000    0
    3
     0.39853504    3    11.71430184    -8.95271466     3.10389577
                                       16.60639177    -8.01422441
                                                       6.36109342
     0.54277993    2     2.59454952    -0.56410898
                                        0.66746275
     0.25119891    1   -14.42369639
#
Ga GTH-BP-q13 GTH-BP
    2    1   10
     0.49000000    0
    3
     0.39614555    3    12.22933993    -7.15254431     2.02087227
                                       12.52084398    -5.21786976
                                                       4.14155572
     0.57682875    2     1.65710194     0.27257669
                                       -0.32251709
     0.23837295    1   -16.19719645
#
Ge GTH-BP-q4 GTH-BP
    2    2
     0.54000000    0
    3
     0.42652691    3     7.46008807    -0.10148543    -1.79977798
                                       -2.79632198     4.64700676
                                                      -3.68844727
     0.57081829    2     0.83232240     0.67204801
                                       -0.79517793
     0.80229340    1     0.20140599
#
As GTH-BP-q5 GTH-BP
    2    3
     0.52000000    0
    3
     0.45615688    3     5.51837021     0.17312741    -1.14220882
                                       -2.08130930     2.94917048
                                                      -2.34083150
     0.55642685    2     0.96871581     0.69251828
                                       -0.81939868
     0.70085191    1     0.31310326
#
Se GTH-BP-q6 GTH-BP
    2    4
     0.51000000    0
    3
     0.43378134    3     6.42760223    -0.11666018    -1.25092543
                                       -1.88402272     3.22987558
                                                      -2.56363426
     0.47287696    2     2.19350862     0.46354749
                                       -0.54847679
     0.61779280    1     0.45787624
#
Br GTH-BP-q7 GTH-BP
    2    5
     0.50000000    0
    3
     0.43844329    3     6.02809057     0.36950836    -1.26583607
                                       -2.53591576     3.26837467
                                                      -2.59419197
     0.45265302    2     2.45444938     0.55326441
                                       -0.65463128
     0.57270080    1     0.53453193
#
Kr GTH-BP-q8 GTH-BP
    2    6
     0.50000000    0
    3
     0.42201160    3     6.43640090     0.55484448    -1.49019203
                                       -3.14009866     3.84765927
                                                      -3.05398486
     0.43381353    2     2.58759250     0.72129118
                                       -0.85344324
     0.54760510    1     0.52878835
#
Zr GTH-BP-q12 GTH-BP
    4    6    2
     0.47000000    2     7.71710396    -1.87349588
    3
     0.26012850    2    23.33316266    -8.48756302
                                       10.95739674
     0.28909449    2     8.57471103    -5.33803887
                                        6.31605277
     0.57923104    2     0.03180631     0.27415481
                                       -0.31086233
#
Ru GTH-BP-q16 GTH-BP
    3    6    7
     0.43000000    2    14.95348689    -0.02426473
    3
     0.35723814    2    -1.36117090     5.92761103
                                       -7.65251293
     0.36153743    2    -4.67111662     4.55280704
                                       -5.38695393
     0.47093469    2     0.51873585    -2.29176040
                                        2.59861204
#
Te GTH-BP-q6 GTH-BP
    2    4
     0.57500000    1     8.45045608
    3
     0.57841719    3     1.43632249     1.01620377    -0.52198665
                                       -2.16092478     1.34776374
                                                      -1.06975431
     0.60416533    2     0.67900355     0.42745229
                                       -0.50576837
     0.80633893    1     0.35636810
#
Cs GTH-BP-q1
    1
     1.20000000    0
    3
     1.15311277    3     0.93256439     0.00814108    -0.14921814
                                       -0.25321342     0.38527959
                                                      -0.30580619
     1.29745832    2     0.63229903    -0.43114835
                                        0.51014161
     1.01147944    1    -0.69777439
#
Cs GTH-BP-q9 GTH-BP
    3    6
     0.54000000    2    33.18925821    -2.80669630
    4
     0.44888547    2    -3.15382781     3.31288554
                                       -4.27691685
     0.36087547    2    -5.24766705     3.25354824
                                       -3.84965020
     0.76171895    1     0.18517971
     0.33862935    1   -16.82118432
#
Au GTH-BP-q11
    1    0   10
     0.59000000    1    10.62376865
    3
     0.53803750    2     6.00785520    -2.34452337
                                        3.02676666
     0.60560054    2     4.37533897    -4.26458410
                                        5.04592396
     0.43922932    2    -7.29174553     2.89836819
                                       -3.28644061
#
################################################################################
#
# HCTH120 functional
#
################################################################################
#
H GTH-HCTH120-q1 GTH-HCTH120
    1
     0.20000000    2    -4.17956174     0.72571934
    0
#
C GTH-HCTH120-q4 GTH-HCTH120
    2    2
     0.33476327    2    -8.73799634     1.35592059
    2
     0.30224259    1     9.60562026
     0.29150776    0
#
N GTH-HCTH120-q5 GTH-HCTH120
    2    3
     0.28289705    2   -12.19488993     1.83989918
    2
     0.25526540    1    13.60420273
     0.24618482    0
#
O GTH-HCTH120-q6 GTH-HCTH120
    2    4
     0.24476117    2   -16.35853832     2.42680904
    2
     0.22092765    1    18.29885210
     0.21259318    0
#
F GTH-HCTH120-q7 GTH-HCTH120
    2    5
     0.21555878    2   -21.21402136     3.11524496
    2
     0.19472662    1    23.68789289
     0.18667491    0
#
P GTH-HCTH120-q5 GTH-HCTH120
    2    3
     0.43000000    1    -5.55967117
    2
     0.39982658    2    10.60103244    -3.26897992
                                        4.22023493
     0.45131904    1     2.95015425
#
Ar GTH-HCTH120-q8 GTH-HCTH120
    2    6
     0.40000000    1    -7.01660399
    2
     0.31726372    2    17.43470209    -5.68655497
                                        7.34131090
     0.35199759    1     4.99753699
#
################################################################################
#
# HCTH407 functional
#
################################################################################
#
H GTH-HCTH407-q1 GTH-HCTH407
    1
     0.20000000    2    -4.17855435     0.72595112
    0
#
C GTH-HCTH407-q4 GTH-HCTH407
    2    2
     0.33895449    2    -8.64070432     1.35762517
    2
     0.30236220    1     9.59681173
     0.29159277    0
#
N GTH-HCTH407-q5 GTH-HCTH407
    2    3
     0.28580927    2   -12.16723704     1.85814414
    2
     0.25533910    1    13.60665370
     0.24645801    0
#
O GTH-HCTH407-q6 GTH-HCTH407
    2    4
     0.24634413    2   -16.39807931     2.45634724
    2
     0.22101140    1    18.29754812
     0.21441275    0
#
################################################################################
#
# PADE functional
#
################################################################################
#
H GTH-PADE-q1 GTH-LDA-q1 GTH-PADE GTH-LDA
    1
     0.20000000    2    -4.18023680     0.72507482
    0
#
He GTH-PADE-q2 GTH-LDA-q2 GTH-PADE GTH-LDA
    2
     0.20000000    2    -9.11202340     1.69836797
    0
#
Li GTH-PADE-q1 GTH-LDA-q1
    1
     0.78755305    2    -1.89261247     0.28605968
    2
     0.66637518    1     1.85881111
     1.07930561    1    -0.00589504
#
Li GTH-PADE-q3 GTH-LDA-q3 GTH-PADE GTH-LDA
    3
     0.40000000    4   -14.03486849     9.55347627    -1.76648817     0.08436998
    0
#
Be GTH-PADE-q2 GTH-LDA-q2
    2
     0.73900865    2    -2.59295078     0.35483893
    2
     0.52879656    1     3.06166591
     0.65815348    1     0.09246196
#
Be GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    4
     0.32500000    4   -24.01504092    17.20401444    -3.32639018     0.16541943
    0
#
B GTH-PADE-q3 GTH-LDA-q3 GTH-PADE GTH-LDA
    2    1
     0.43392956    2    -5.57864173     0.80425145
    2
     0.37384326    1     6.23392822
     0.36039317    0
#
C GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    2    2
     0.34883045    2    -8.51377110     1.22843203
    2
     0.30455321    1     9.52284179
     0.23267730    0
#
N GTH-PADE-q5 GTH-LDA-q5 GTH-PADE GTH-LDA
    2    3
     0.28917923    2   -12.23481988     1.76640728
    2
     0.25660487    1    13.55224272
     0.27013369    0
#
O GTH-PADE-q6 GTH-LDA-q6 GTH-PADE GTH-LDA
    2    4
     0.24762086    2   -16.58031797     2.39570092
    2
     0.22178614    1    18.26691718
     0.25682890    0
#
F GTH-PADE-q7 GTH-LDA-q7 GTH-PADE GTH-LDA
    2    5
     0.21852465    2   -21.30736112     3.07286942
    2
     0.19556721    1    23.58494211
     0.17426832    0
#
Ne GTH-PADE-q8 GTH-LDA-q8 GTH-PADE GTH-LDA
    2    6
     0.19000000    2   -27.69285182     4.00590585
    2
     0.17948804    2    28.50609828     0.41682800
                                       -1.07624528
     0.21491271    1    -0.00008991
#
Na GTH-PADE-q1 GTH-LDA-q1
    1
     0.88550938    1    -1.23886713
    2
     0.66110390    2     1.84727135    -0.22540903
                                        0.58200362
     0.85711928    1     0.47113258
#
Na GTH-PADE-q9 GTH-LDA-q9 GTH-PADE GTH-LDA
    3    6
     0.18000000    2    -8.85370596     3.96307828
    2
     0.14013284    1    38.78472127
     0.14830373    1    -7.64734059
#
Na GTH-PADE-q9_old GTH-LDA-q9_old
    3    6
     0.24631780    2    -7.54559253     1.12599671
    2
     0.14125125    1    36.55698653
     0.13966840    1   -10.39208332
#
Mg GTH-PADE-q10 GTH-LDA-q10 GTH-PADE GTH-LDA
    4    6
     0.21094954    2   -19.41900751     2.87133099
    2
     0.14154696    1    40.31662629
     0.10546902    1   -10.89111329
#
Mg GTH-PADE-q2 GTH-LDA-q2
    2
     0.65181169    1    -2.86429746
    2
     0.55647814    2     2.97095712    -0.51508390
                                        1.32994091
     0.67756881    1     1.04988101
#
Al GTH-PADE-q3 GTH-LDA-q3 GTH-PADE GTH-LDA
    2    1
     0.45000000    1    -8.49135116
    2
     0.46010427    2     5.08833953    -1.03784325
                                        2.67969975
     0.53674439    1     2.19343827
#
Si GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    2    2
     0.44000000    1    -7.33610297
    2
     0.42273813    2     5.90692831    -1.26189397
                                        3.25819622
     0.48427842    1     2.72701346
#
P GTH-PADE-q5 GTH-LDA-q5 GTH-PADE GTH-LDA
    2    3
     0.43000000    1    -6.65421981
    2
     0.38980284    2     6.84213556    -1.49369090
                                        3.85669332
     0.44079585    1     3.28260592
#
S GTH-PADE-q6 GTH-LDA-q6 GTH-PADE GTH-LDA
    2    4
     0.42000000    1    -6.55449184
    2
     0.36175665    2     7.90530250    -1.73188130
                                        4.47169830
     0.40528502    1     3.86657900
#
Cl GTH-PADE-q7 GTH-LDA-q7 GTH-PADE GTH-LDA
    2    5
     0.41000000    1    -6.86475431
    2
     0.33820832    2     9.06223968    -1.96193036
                                        5.06568240
     0.37613709    1     4.46587640
#
Ar GTH-PADE-q8 GTH-LDA-q8 GTH-PADE GTH-LDA
    2    6
     0.40000000    1    -7.10000000
    2
     0.31738081    2    10.24948699    -2.16984522
                                        5.60251627
     0.35161921    1     4.97880101
#
K GTH-PADE-q1 GTH-LDA-q1
    1
     0.95000000    0
    3
     0.95536395    3     0.91461200    -0.11136800    -0.07324712
                                        0.28755094     0.18912326
                                                      -0.30022386
     1.08641063    2     0.31546177    -0.02881726
                                        0.06819410
     0.72060608    1    -1.52951361
#
K GTH-PADE-q9 GTH-LDA-q9 GTH-PADE GTH-LDA
    3    6
     0.40000000    2    -4.98934751    -0.75604821
    2
     0.29482550    2    11.23870466    -2.73733893
                                        7.06777871
     0.32235865    2     5.25670239    -0.39677748
                                        0.93894690
#
Ca GTH-PADE-q10 GTH-LDA-q10 GTH-PADE GTH-LDA
    4    6
     0.39000000    2    -4.92814602    -1.23285409
    3
     0.28190948    2    12.35233956    -2.96571964
                                        7.65745518
     0.31034528    2     5.72242348    -0.39028860
                                        0.92359141
     0.90433011    1     0.01680633
#
Ca GTH-PADE-q2 GTH-LDA-q2
    2
     0.80000000    0
    3
     0.66973721    3     1.64501442    -0.59004546     0.07221571
                                        1.52349082    -0.18646017
                                                       0.29599634
     0.94647402    2     0.58547893    -0.05338365
                                        0.12632878
     0.52654998    1    -3.03232095
#
Sc GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    4    6    1
     0.38500000    2     7.42503638    -0.48985155
    3
     0.35970653    2     6.11958455     0.99282105
                                       -2.56345293
     0.24323416    2     6.37661838     2.54239924
                                       -6.01641469
     0.25294463    1    -8.02089177
#
Sc GTH-PADE-q3 GTH-LDA-q3
    2    0    1
     0.75000000    0
    3
     0.59707941    3     1.83576833    -0.67169514     0.34607449
                                        1.73430939    -0.89356049
                                                       1.41848330
     0.84799438    2     0.78412669    -0.10426371
                                        0.24673297
     0.45465318    1    -3.85924078
#
Ti GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    4    6    2
     0.38000000    2     7.54878947    -0.58837666
    3
     0.33423466    2     6.92573970     1.21689330
                                       -3.14200499
     0.24241582    2     5.07908650     2.65559321
                                       -6.28428053
     0.24294750    1    -9.12589591
#
Ti GTH-PADE-q4 GTH-LDA-q4
    2    0    2
     0.72000000    0
    3
     0.52841076    3     1.86661330    -0.55779994     0.89250253
                                        1.44023325    -2.30443161
                                                       3.65817177
     0.79114554    2     0.96791577    -0.11016023
                                        0.26068669
     0.40871178    1    -4.82645635
#
V GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    4    6    3
     0.37500000    2     4.94129058    -0.09644336
    3
     0.32665112    2     7.65939048     1.50745391
                                       -3.89222925
     0.24640748    2     4.25623049     2.51062024
                                       -5.94121187
     0.24079150    1    -8.82851757
#
V GTH-PADE-q5 GTH-LDA-q5
    2    0    3
     0.69000000    0
    3
     0.51470421    3     2.20866978    -0.73461318     0.75055919
                                        1.89676307    -1.93793550
                                                       3.07637723
     0.74350381    2     1.11575121    -0.12113126
                                        0.28664887
     0.37488959    1    -5.84163317
#
Cr GTH-PADE-q14 GTH-LDA-q14 GTH-PADE GTH-LDA
    3    6    5
     0.37000000    2     5.11336166    -0.64681932
    3
     0.30601140    2     8.61783515     1.60252229
                                       -4.13769475
     0.24108964    2     3.16158758     2.12679104
                                       -5.03290619
     0.21957702    1   -11.15786828
#
Cr GTH-PADE-q6 GTH-LDA-q6
    1    0    5
     0.66000000    0
    3
     0.49857767    3     2.40075556    -0.80261251     0.72025801
                                        2.07233658    -1.85969818
                                                       2.95217934
     0.71976824    2     1.14555658    -0.11757619
                                        0.27823604
     0.35434060    1    -6.61587832
#
Mn GTH-PADE-q15 GTH-LDA-q15 GTH-PADE GTH-LDA
    4    6    5
     0.36500000    2     6.74868332    -0.57656900
    3
     0.28075266    2     9.37953150     2.15929667
                                       -5.57528002
     0.25453567    2     0.37117568     1.78710271
                                       -4.22905690
     0.22142210    1   -12.11538453
#
Mn GTH-PADE-q7 GTH-LDA-q7
    2    0    5
     0.64000000    0
    3
     0.48124608    3     2.79903057    -0.96286281     0.62594958
                                        2.48610107    -1.61619487
                                                       2.56562982
     0.66930432    2     1.36877564    -0.13385695
                                        0.31676337
     0.32776314    1    -7.99541784
#
Fe GTH-PADE-q16 GTH-LDA-q16 GTH-PADE GTH-LDA
    4    6    6
     0.36000000    2     5.39250667    -0.03006638
    3
     0.26926810    2    10.19372276     2.64717717
                                       -6.83498206
     0.24768563    2     0.14561261     2.21217195
                                       -5.23495429
     0.22302105    1   -12.02694100
#
Fe GTH-PADE-q8 GTH-LDA-q8
    2    0    6
     0.61000000    0
    3
     0.45448200    3     3.01664046    -1.00040646     0.79478164
                                        2.58303836    -2.05211737
                                                       3.25763534
     0.63890282    2     1.49964199    -0.13812935
                                        0.32687369
     0.30873177    1    -9.14535371
#
Co GTH-PADE-q17 GTH-LDA-q17 GTH-PADE GTH-LDA
    4    6    7
     0.35500000    2     3.41839094     0.48207820
    3
     0.25914047    2    11.19522589     3.03867482
                                       -7.84582466
     0.25142451    2    -0.55146375     1.96043558
                                       -4.63923731
     0.22166454    1   -12.07535366
#
Co GTH-PADE-q9 GTH-LDA-q9
    2    0    7
     0.58000000    0
    3
     0.44045735    3     3.33497825    -1.11276628     0.75413362
                                        2.87315017    -1.94716465
                                                       3.09102805
     0.61004847    2     1.63400481    -0.15047260
                                        0.35608316
     0.29166058    1   -10.35880017
#
Ni GTH-PADE-q10 GTH-LDA-q10
    2    0    8
     0.56000000    0
    3
     0.42539870    3     3.61965071    -1.19635099     0.74622158
                                        3.08896496    -1.92673583
                                                       3.05859831
     0.58408076    2     1.74222007    -0.16325873
                                        0.38634067
     0.27811348    1   -11.60842823
#
Ni GTH-PADE-q18 GTH-LDA-q18 GTH-PADE GTH-LDA
    4    6    8
     0.35000000    2     3.61031072     0.44963832
    3
     0.24510489    2    12.16113071     3.51625420
                                       -9.07892931
     0.23474136    2    -0.82062357     2.54774737
                                       -6.02907069
     0.21494950    1   -13.39506212
#
Cu GTH-PADE-q1 GTH-LDA-q1
    1
     0.58000000    0
    3
     0.84328288    3     0.97578662     0.31838619    -0.03250652
                                       -0.82206962     0.08393147
                                                      -0.13323707
     1.08954266    2     0.02457986     0.10522210
                                       -0.24900093
     1.29160225    1    -0.06529209
#
Cu GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    1    0   10
     0.53000000    0
    3
     0.42373431    3     3.88805001    -1.26901549     0.55872509
                                        3.27658391    -1.44262198
                                                       2.29009139
     0.57217697    2     1.75127242    -0.15844220
                                        0.37494269
     0.26614275    1   -12.67695749
#
Cu GTH-PADE-q19 GTH-LDA-q19
    3    6   10
     0.34500000    2     0.38158866     1.38680111
    3
     0.25131927    2     0.03400360    11.19862293
                                      -14.45736004
     0.22038147    2   -14.27160096    16.04403507
                                      -18.98355830
     0.21773897    1   -12.50830997
#
Zn GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    2    0   10
     0.51000000    0
    3
     0.40086620    3     4.27870973    -1.40486350     0.69522313
                                        3.62734196    -1.79505840
                                                       2.84956686
     0.53961806    2     2.02388400    -0.18244417
                                        0.43174171
     0.25215059    1   -14.33836841
#
Zn GTH-PADE-q2 GTH-LDA-q2
    2
     0.57000000    0
    3
     0.64071219    3     2.08855724     0.08453570    -0.22965773
                                       -0.21827024     0.59297371
                                                      -0.94131659
     0.96760483    2     0.16354600     0.09596150
                                       -0.22708635
     1.33035200    1     0.01048578
#
Zn GTH-PADE-q20 GTH-LDA-q20
    4    6   10
     0.34000000    2    -0.62164886     1.27422289
    3
     0.23892824    2     0.30844368    12.35877752
                                      -15.95511318
     0.23960139    2    -9.43744220     8.39596370
                                       -9.93423822
     0.20656246    1   -14.03217427
#
Ga GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    2    1   10
     0.49000000    0
    3
     0.39530156    3    12.45703651    -7.08541671     1.84712738
                                       12.15158654    -4.76926238
                                                       3.78548466
     0.58085441    2     1.57898606     0.32869270
                                       -0.38891444
     0.23908100    1   -16.13575103
#
Ga GTH-PADE-q3 GTH-LDA-q3
    2    1
     0.56000000    0
    3
     0.61079074    3     2.36932516     0.09644314    -0.13462450
                                       -0.24901512     0.34759896
                                                      -0.55179624
     0.70459583    2     0.74630529     0.21683799
                                       -0.51313234
     0.98257967    1     0.07543656
#
Ge GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    2    2
     0.54000000    0
    3
     0.49374254    3     3.82689099    -0.42611775    -0.32795553
                                        1.10023129     0.84677753
                                                      -1.34421765
     0.60106438    2     1.36251781     0.26511216
                                       -0.62736987
     0.78836851    1     0.19120485
#
As GTH-PADE-q5 GTH-LDA-q5 GTH-PADE GTH-LDA
    2    3
     0.52000000    0
    3
     0.45640025    3     4.56076106    -0.65545935    -0.33517391
                                        1.69238876     0.86541531
                                                      -1.37380421
     0.55056168    2     1.81224664     0.27329186
                                       -0.64672658
     0.68528272    1     0.31237276
#
Se GTH-PADE-q6 GTH-LDA-q6 GTH-PADE GTH-LDA
    2    4
     0.51000000    0
    3
     0.43253108    3     5.14513084    -0.79473967    -0.33405137
                                        2.05200900     0.86251693
                                                      -1.36920317
     0.47247252    2     2.85880607     0.24960384
                                       -0.59067050
     0.61342013    1     0.43482888
#
Br GTH-PADE-q7 GTH-LDA-q7 GTH-PADE GTH-LDA
    2    5
     0.50000000    0
    3
     0.42820734    3     5.39883713    -0.70499608    -0.32301656
                                        1.82029205     0.83402517
                                                      -1.32397392
     0.45532308    2     3.10882269     0.26715405
                                       -0.63220188
     0.55784727    1     0.55590294
#
Kr GTH-PADE-q8 GTH-LDA-q8 GTH-PADE GTH-LDA
    2    6
     0.50000000    0
    3
     0.41075893    3     5.91119429    -0.76196004    -0.35573234
                                        1.96737236     0.91849694
                                                      -1.45806869
     0.43025641    2     3.52435692     0.29208431
                                       -0.69119763
     0.51712005    1     0.62922850
#
Rb GTH-PADE-q1 GTH-LDA-q1
    1
     1.09620685    2     0.84733274    -0.74812032
    3
     0.95569909    3     0.88746022    -0.34976454    -0.00164684
                                        0.90308815     0.00425212
                                                      -0.00675003
     1.15668058    2     0.46173448    -0.14203355
                                        0.33611273
     0.66432256    1    -1.36293829
#
Rb GTH-PADE-q9 GTH-LDA-q9 GTH-PADE GTH-LDA
    3    6
     0.49000000    2     4.50415106    -0.74101810
    3
     0.28230077    2     9.53632920    -3.67415744
                                        9.48663373
     0.30188614    2     2.20959243    -2.31371511
                                        5.47524928
     0.51489528    1     0.44937574
#
Sr GTH-PADE-q10 GTH-LDA-q10 GTH-PADE GTH-LDA
    4    6
     0.48000000    2     5.57145509    -1.07996304
    3
     0.27544056    2     9.99513531    -3.61608019
                                        9.33667892
     0.30224313    2     3.16912572    -1.71111259
                                        4.04923144
     0.50204544    1     0.43872821
#
Sr GTH-PADE-q2 GTH-LDA-q2
    2
     1.01000000    2     0.68474888    -0.06212465
    3
     0.83756431    3     1.20039504    -0.35889978    -0.07706135
                                        0.92667525     0.19897155
                                                      -0.31585755
     1.17417825    2     0.43998339    -0.00771915
                                        0.01826685
     0.74317548    1    -1.38699026
#
Y GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    4    6    1
     0.47500000    2     6.89262113    -1.44841137
    3
     0.25929613    2    11.06849407    -4.05874563
                                       10.47963616
     0.28851147    2     3.01907548    -1.80967899
                                        4.28248210
     0.50364209    2     0.33991901    -0.00795600
                                        0.01804251
#
Y GTH-PADE-q3 GTH-LDA-q3
    2    0    1
     0.90000000    1    -0.34389132
    3
     0.78245699    3     1.52065466    -0.57489340    -0.04611453
                                        1.48436836     0.11906721
                                                      -0.18901334
     0.94986375    2     0.78095000    -0.15582064
                                        0.36873894
     0.65385060    2    -1.25692979     0.03323415
                                       -0.07536797
#
Zr GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    4    6    2
     0.47000000    2     6.34261837    -1.73217100
    3
     0.26250960    2    11.10177456    -3.71411720
                                        9.58980939
     0.28881376    2     3.44681955    -1.78708731
                                        4.22902044
     0.58825239    2     0.33463695     0.08621617
                                       -0.19551990
#
Zr GTH-PADE-q4 GTH-LDA-q4
    2    0    2
     0.75000000    1    -0.78261098
    3
     0.64999821    3     1.73987747    -0.92494916     0.29407499
                                        2.38820846    -0.75929835
                                                       1.20534876
     0.87440769    2     1.01829381    -0.22321509
                                        0.52822332
     0.63066761    2    -1.17391057    -0.09356197
                                        0.21217861
#
Nb GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    3    6    4
     0.46000000    2    13.50539360     0.75243372
    3
     0.39370802    2     3.22202457     1.78131738
                                       -4.59934171
     0.40362557    2    -0.82203677     0.94968536
                                       -2.24736575
     0.51364405    2    -1.48984771    -0.36326930
                                        0.82381733
#
Nb GTH-PADE-q5 GTH-LDA-q5
    1    0    4
     0.72400000    1     4.02105754
    3
     0.69970828    2     1.53265135    -0.55316427
                                        1.42826399
     0.84667164    2     0.60967518    -0.25218878
                                        0.59678759
     0.51607226    2    -2.69682993     0.74741000
                                       -1.69496657
#
Mo GTH-PADE-q14 GTH-LDA-q14 GTH-PADE GTH-LDA
    3    6    5
     0.43000000    2    16.23745228     1.49653613
    3
     0.37625527    2     3.36242551     2.04852792
                                       -5.28927635
     0.36173435    2    -0.37957075     1.71892268
                                       -4.06771350
     0.52582812    2    -1.54321130    -0.47376044
                                        1.07438769
#
Mo GTH-PADE-q6 GTH-LDA-q6
    1    0    5
     0.69900000    1     7.99586821
    3
     0.67812595    2     1.28960728    -0.38656751
                                        0.99811301
     0.80077140    2     0.30141226    -0.31338933
                                        0.74161451
     0.45338393    2    -2.80970771     3.00775463
                                       -6.82094635
#
Tc GTH-PADE-q15 GTH-LDA-q15 GTH-PADE GTH-LDA
    3    6    6
     0.43000001    2    14.91001129     1.04638147
    3
     0.36972111    2     3.91740844     2.04044213
                                       -5.26839892
     0.35777235    2    -0.27000007     1.57949660
                                       -3.73777116
     0.51048733    2    -1.58670910    -0.49930056
                                        1.13230724
#
Tc GTH-PADE-q7 GTH-LDA-q7
    1    0    6
     0.67300000    1    13.31538067
    3
     0.67761188    2     0.81921767    -0.13495786
                                        0.34845968
     0.78427538    2     0.02867266    -0.27820911
                                        0.65836292
     0.51988975    2    -5.98422427    -0.31829379
                                        0.72182246
#
Ru GTH-PADE-q16 GTH-LDA-q16 GTH-PADE GTH-LDA
    3    6    7
     0.43000000    2    13.58257130     0.59622675
    3
     0.36408374    2     4.48063220     2.04055059
                                       -5.26867898
     0.36405317    2    -0.32037214     1.29296495
                                       -3.05971353
     0.49585036    2    -1.59787017    -0.51393501
                                        1.16549505
#
Ru GTH-PADE-q8 GTH-LDA-q8
    1    0    7
     0.64721429    1     8.68772333
    3
     0.62565612    2     1.63786602    -0.51484914
                                        1.32933477
     0.74642487    2     0.63901157    -0.27483407
                                        0.65037612
     0.44035802    2    -4.88336495     1.35098513
                                       -3.06374629
#
Rh GTH-PADE-q17 GTH-LDA-q17 GTH-PADE GTH-LDA
    3    6    8
     0.42000000    2    15.22501231     0.41591145
    3
     0.35005185    2     4.71529244     2.24847003
                                       -5.80552464
     0.35025339    2    -0.50469386     1.42536937
                                       -3.37303956
     0.49694980    2    -1.68559431    -0.61192127
                                        1.38770701
#
Rh GTH-PADE-q9 GTH-LDA-q9
    1    0    8
     0.62142857    1     5.39796233
    3
     0.59807881    2     2.24211131    -0.83330981
                                        2.15159669
     0.70958567    2     1.15527830    -0.29785195
                                        0.70484635
     0.36920687    2    -1.05305819     4.81701344
                                      -10.92395969
#
Pd GTH-PADE-q10 GTH-LDA-q10
    0    0   10
     0.59600000    1     5.20966476
    3
     0.58220422    2     2.41107608    -0.89811395
                                        2.31892024
     0.68878713    2     1.22725330    -0.32032214
                                        0.75802053
     0.44283523    2    -4.37713124    -0.18223540
                                        0.41327105
#
Pd GTH-PADE-q18 GTH-LDA-q18 GTH-PADE GTH-LDA
    2    6   10
     0.41000000    2    15.72025922     0.14076508
    3
     0.34215063    2     5.17768606     2.26678707
                                       -5.85281906
     0.34311064    2    -0.37256076     1.37706395
                                       -3.25872809
     0.49491624    2    -1.60827298    -0.63789470
                                        1.44660922
#
Ag GTH-PADE-q1 GTH-LDA-q1
    1
     0.65000000    1    -2.37606096
    3
     1.01270456    3     0.89793134     0.28982424     0.00726736
                                       -0.74832297    -0.01876424
                                                       0.02978730
     1.23584202    2     0.13008068     0.11726324
                                       -0.27749548
     1.01615913    1    -0.03884235
#
Ag GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    1    0   10
     0.57000000    1     1.01705324
    3
     0.49890039    3     2.99028401    -1.51526425     0.53817162
                                        3.91239548    -1.38955314
                                                       2.20584723
     0.63000853    2     1.81396786    -0.55123072
                                        1.30444997
     0.38765955    2    -3.42007573     0.44975502
                                       -1.01994852
#
Ag GTH-PADE-q19 GTH-LDA-q19
    3    6   10
     0.40000000    2    26.10213544    -5.21734352
    3
     0.30814467    2     1.55692822     3.68811443
                                       -4.76133525
     0.42100419    2     0.24550848    -0.89060050
                                        1.05377272
     0.44722234    2     1.87011922    -3.09368795
                                        3.50791241
#
Cd GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    2    0   10
     0.55000000    1     2.38271306
    3
     0.49150479    3     3.20793247    -1.60378823     0.38651363
                                        4.14096341    -0.99797390
                                                       1.58423446
     0.59856481    2     1.94014994    -0.64058146
                                        1.51589242
     0.37787436    2    -4.19007193     0.33960669
                                       -0.77015558
#
Cd GTH-PADE-q2 GTH-LDA-q2
    2
     0.62500000    1    -1.79683799
    3
     0.82846467    3     1.48529241     0.16450606    -0.09953846
                                       -0.42475283     0.25700719
                                                      -0.40798627
     0.97287254    2     0.46920843     0.18936149
                                       -0.44811107
     1.24094900    1     0.06541164
#
In GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    2    1   10
     0.53000000    1     2.39540385
    3
     0.47408054    3     3.55441064    -1.84126870     0.38183068
                                        4.75413535    -0.98588258
                                                       1.56504008
     0.55981945    2     2.22366425    -0.86006177
                                        2.03527762
     0.36048751    2    -4.56641372     0.34120718
                                       -0.77378515
#
In GTH-PADE-q3 GTH-LDA-q3
    2    1
     0.61000000    1     2.86577676
    3
     0.77060197    3     1.25619360     0.15385620    -0.06790534
                                       -0.39725499     0.17533083
                                                      -0.27832906
     0.85813160    2     0.49445864     0.16091263
                                       -0.38078878
     1.08869090    1     0.12920778
#
Sn GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    2    2
     0.60500000    1     4.61091234
    3
     0.66354369    3     1.64879146     0.05498623    -0.14066273
                                       -0.14197384     0.36318961
                                                      -0.57654563
     0.74586492    2     0.76935544     0.18807652
                                       -0.44507028
     0.94445897    1     0.22511508
#
Sb GTH-PADE-q5 GTH-LDA-q5 GTH-PADE GTH-LDA
    2    3
     0.59000000    1     6.68022783
    3
     0.59768356    3     1.95147672    -0.01453812    -0.19191821
                                        0.03753727     0.49553069
                                                      -0.78663058
     0.67212205    2     0.97031285     0.19722998
                                       -0.46673132
     0.85655729    1     0.30010262
#
Te GTH-PADE-q6 GTH-LDA-q6 GTH-PADE GTH-LDA
    2    4
     0.57500000    1     9.38708481
    3
     0.55645602    3     2.04689031     0.01136047    -0.21497109
                                       -0.02933260     0.55505297
                                                      -0.88111927
     0.61526187    2     1.03347754     0.20333245
                                       -0.48117240
     0.80510072    1     0.31741073
#
I GTH-PADE-q7 GTH-LDA-q7 GTH-PADE GTH-LDA
    2    5
     0.56000000    1    14.66182521
    3
     0.55283008    3     1.33805374     0.32333643    -0.11404312
                                       -0.83485108     0.29445806
                                                      -0.46743768
     0.56225147    2     0.67449617     0.24415947
                                       -0.57778676
     0.79432495    1     0.22434543
#
Xe GTH-PADE-q8 GTH-LDA-q8 GTH-PADE GTH-LDA
    2    6
     0.56000000    1    12.73427972
    3
     0.50737118    3     2.23645069     0.15629453    -0.27630331
                                       -0.40355073     0.71341207
                                                      -1.13250655
     0.54102371    2     1.13004299     0.31810091
                                       -0.75276413
     0.72982111    1     0.28013078
#
Cs GTH-PADE-q1 GTH-LDA-q1
    1
     1.20000000    0
    3
     1.22473727    3     0.61152657    -0.09288578    -0.07173455
                                        0.23983005     0.18521782
                                                      -0.29402418
     1.28047759    2     0.24489277    -0.09604275
                                        0.22727863
     1.10752212    1    -0.54216260
#
Cs GTH-PADE-q9 GTH-LDA-q9 GTH-PADE GTH-LDA
    3    6
     0.54000000    2    35.23443810    -3.31807009
    4
     0.45682103    2    -0.28237849     1.07705949
                                       -2.78095565
     0.36246700    2    -2.69673321     0.96809883
                                       -2.29093996
     0.76146205    1     0.18375440
     0.33350703    1   -17.94825944
#
Ba GTH-PADE-q10 GTH-LDA-q10 GTH-PADE GTH-LDA
    4    6
     0.54000000    2    24.47865325    -2.50084994
    4
     0.51477613    2     1.04672903     0.37847454
                                       -0.97721707
     0.37519011    2    -0.20243912    -0.28749217
                                        0.68033065
     0.66540319    1     0.37841850
     0.30492043    1   -18.79520777
#
Ba GTH-PADE-q2 GTH-LDA-q2
    2
     1.20000000    0
    3
     1.01618684    3     0.92259259    -0.29570030    -0.08135711
                                        0.76349489     0.21006316
                                                      -0.33346493
     1.24987991    2     0.44716820    -0.06384326
                                        0.15108073
     0.93715823    1    -0.71893382
#
La GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    4    6    1
     0.53500000    2    19.90930823    -1.47483023
    4
     0.55177542    2     1.29327192     0.43447877
                                       -1.12181937
     0.47630806    3     1.17252682     0.35023609     0.00887640
                                       -0.82880986    -0.02100539
                                                       0.02985728
     0.62667220    1     0.32837704
     0.29931017    1   -18.26943896
#
Ce GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    4    6    1    1
     0.53500000    2    18.26801534    -0.63048034
    4
     0.52642558    2    -0.68453554     1.78656499
                                       -2.30644548
     0.49085089    2    -1.02722427     1.53667473
                                       -1.81821806
     0.69222809    1     0.06340682
     0.30390134    1   -17.54564801
#
Pr GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    4    6    0    3
     0.53208333    2    18.42473909    -0.65766893
    4
     0.52684996    2     1.01262106     0.66537143
                                       -1.71798165
     0.45889736    2     1.11706004     0.78265878
                                       -1.85210872
     0.74760989    1     0.01757109
     0.30077296    1   -17.89711891
#
Nd GTH-PADE-q14 GTH-LDA-q14 GTH-PADE GTH-LDA
    4    6    0    4
     0.52916670    2    17.81503043    -0.59479767
    4
     0.50299986    2     1.52910988     0.83413680
                                       -2.15373194
     0.46701290    2     0.72155346     0.69619548
                                       -1.64749920
     0.32528958    1    -0.54324017
     0.29474281    1   -18.52022760
#
Pm GTH-PADE-q15 GTH-LDA-q15 GTH-PADE GTH-LDA
    4    6    0    5
     0.52625000    2    18.25172292    -0.49210744
    4
     0.48987856    2     1.30897757     0.97124774
                                       -2.50775088
     0.47226016    2     0.16051238     0.66146221
                                       -1.56530527
     0.47370914    1    -0.42995241
     0.29152653    1   -19.30505668
#
Sm GTH-PADE-q16 GTH-LDA-q16 GTH-PADE GTH-LDA
    4    6    0    6
     0.52333337    2    17.20679172    -0.53280292
    4
     0.47967676    2     1.72363519     1.02996853
                                       -2.65936731
     0.49059775    2    -0.08240311     0.46948681
                                       -1.11100858
     0.47084026    1    -0.41063034
     0.28404049    1   -19.98429201
#
Eu GTH-PADE-q17 GTH-LDA-q17 GTH-PADE GTH-LDA
    4    6    0    7
     0.52041668    2    17.37351625    -0.64846778
    4
     0.46904261    2     1.76363790     1.12972280
                                       -2.91693172
     0.44590722    2     0.51804594     0.90228057
                                       -2.13518554
     0.49003840    1    -0.42611996
     0.27840129    1   -20.94652763
#
Gd GTH-PADE-q18 GTH-LDA-q18 GTH-PADE GTH-LDA
    4    6    0    8
     0.51750004    2    17.51255640    -0.71953420
    4
     0.46201372    2     1.55185591     1.18850339
                                       -3.06870256
     0.45695327    2    -0.05834713     0.71741382
                                       -1.69771095
     0.48236813    1    -0.56260077
     0.27338980    1   -21.92349011
#
Tb GTH-PADE-q19 GTH-LDA-q19 GTH-PADE GTH-LDA
    4    6    0    9
     0.51458335    2    17.60361623    -0.82808004
    4
     0.44869439    2     1.71848088     1.33046245
                                       -3.43523929
     0.42422013    2     0.56239978     1.17553634
                                       -2.78182671
     0.48280866    1    -0.62580219
     0.26825995    1   -22.91169709
#
Dy GTH-PADE-q20 GTH-LDA-q20 GTH-PADE GTH-LDA
    4    6    0   10
     0.51166666    2    16.99433138    -0.95529792
    4
     0.44059045    2     1.94031950     1.37870375
                                       -3.55979777
     0.43464206    2     0.01431536     0.86469335
                                       -2.04623793
     0.46722880    1    -0.66892417
     0.26167045    1   -23.92235817
#
Ho GTH-PADE-q21 GTH-LDA-q21 GTH-PADE GTH-LDA
    4    6    0   11
     0.50875002    2    16.78157003    -1.17351448
    4
     0.43221176    2     2.05279689     1.42314101
                                       -3.67453429
     0.42013792    2     0.25329464     0.99529117
                                       -2.35528878
     0.44713057    1    -0.74286267
     0.25499226    1   -25.19721081
#
Er GTH-PADE-q22 GTH-LDA-q22 GTH-PADE GTH-LDA
    4    6    0   12
     0.50583333    2    17.10529281    -1.43095318
    4
     0.41994801    2     2.14450257     1.54307528
                                       -3.98420323
     0.41445530    2     0.05408736     0.96959342
                                       -2.29447680
     0.41838497    1    -0.99900632
     0.24912591    1   -26.69680936
#
Tm GTH-PADE-q23 GTH-LDA-q23 GTH-PADE GTH-LDA
    4    6    0   13
     0.50291669    2    17.24729254    -1.62769708
    4
     0.41337286    2     1.94719583     1.59627195
                                       -4.12155644
     0.40992301    2    -0.09449281     0.93984837
                                       -2.22408718
     0.39287009    1    -1.35330770
     0.24391696    1   -28.10415875
#
Yb GTH-PADE-q24 GTH-LDA-q24 GTH-PADE GTH-LDA
    4    6    0   14
     0.50000000    2    17.35714421    -1.77391642
    4
     0.40230918    2     2.12077095     1.86019003
                                       -4.80298999
     0.41435774    2    -0.92321216     0.70931244
                                       -1.67853959
     0.44402468    1    -0.88996733
     0.23829829    1   -29.93285367
#
Lu GTH-PADE-q25 GTH-LDA-q25 GTH-PADE GTH-LDA
    4    6    1   14
     0.49700000    2    17.03705292    -1.66161023
    4
     0.39120615    2     2.18467779     2.10393860
                                       -5.43234610
     0.39389567    2    -0.71981878     1.15101512
                                       -2.72379890
     0.43651827    1    -1.17324513
     0.23262926    1   -31.85226177
#
Hf GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    4    6    2
     0.56000000    2     5.13480056     0.52919062
    3
     0.42281035    3     2.56444209     2.32910852     0.27075363
                                       -6.01373234    -0.69908286
                                                       1.10975964
     0.47268130    2    -1.02527490     0.79129612
                                       -1.87254839
     0.42638752    2     1.45936326     2.32948018
                                       -5.28276448
#
Ta GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    4    6    3
     0.55000000    2     4.54623627     0.77942234
    3
     0.42185350    3     2.70813558     2.24282880     0.23120613
                                       -5.79095906    -0.59697167
                                                       0.94766314
     0.46134516    2    -0.72485277     0.93609767
                                       -2.21521141
     0.41099434    2     1.34849472     2.37542018
                                       -5.38694662
#
Ta GTH-PADE-q5 GTH-LDA-q5
    2    0    3
     0.74400000    1     3.62311645
    3
     0.58180113    2     2.00533833    -1.17236605
                                        3.02703613
     0.77064628    2     0.51856664    -0.50091380
                                        1.18537841
     0.53436996    2    -2.20220040     0.73493457
                                       -1.66667495
#
W GTH-PADE-q14 GTH-LDA-q14 GTH-PADE GTH-LDA
    4    6    4
     0.54000000    2     4.80025094     0.90154434
    3
     0.41856963    3     2.69220433     2.33255747     0.29723855
                                       -6.02263750    -0.76746663
                                                       1.21831550
     0.44955492    2    -0.70208426     1.03602407
                                       -2.45168043
     0.39960167    2     1.17743638     2.44891670
                                       -5.55362106
#
W GTH-PADE-q6 GTH-LDA-q6
    2    0    4
     0.71900000    1     4.05844991
    3
     0.58246289    2     2.16116556    -1.06177835
                                        2.74149991
     0.74230741    2     0.60097339    -0.54932611
                                        1.29994284
     0.53495887    2    -2.51706347     0.34797654
                                       -0.78913661
#
Re GTH-PADE-q15 GTH-LDA-q15 GTH-PADE GTH-LDA
    4    6    5
     0.53000000    2     5.59266028     0.94395680
    3
     0.40325199    3     2.76072043     2.47732079     0.21194880
                                       -6.39641476    -0.54724946
                                                       0.86873158
     0.44095069    2    -0.90054631     1.06118049
                                       -2.51121137
     0.39039544    2     0.87525142     2.50135628
                                       -5.67254285
#
Re GTH-PADE-q7 GTH-LDA-q7
    2    0    5
     0.69300000    1     8.18081618
    3
     0.50981621    2     2.26937936    -1.36659354
                                        3.52852934
     0.74583906    2     0.49669329    -0.39123421
                                        0.92582911
     0.50095420    2    -3.68962967     0.83544051
                                       -1.89460099
#
Os GTH-PADE-q16 GTH-LDA-q16 GTH-PADE GTH-LDA
    4    6    6
     0.52000000    2     5.61307299     0.92195476
    3
     0.41057830    3     2.78575826     2.59185074     0.54822025
                                       -6.69212983    -1.41549860
                                                       2.24703437
     0.42239546    2    -0.59000550     1.27547446
                                       -3.01832347
     0.38025200    2     0.88013282     2.52796761
                                       -5.73289168
#
Os GTH-PADE-q8 GTH-LDA-q8
    2    0    6
     0.66700000    1     9.44045936
    3
     0.51030708    2     2.40236688    -1.17998407
                                        3.04670577
     0.71755329    2     0.49952321    -0.44509384
                                        1.05328427
     0.48758605    2    -4.14203471     0.73468110
                                       -1.66610013
#
Ir GTH-PADE-q17 GTH-LDA-q17 GTH-PADE GTH-LDA
    4    6    7
     0.51000000    2     4.90450946     1.31378645
    3
     0.40446887    3     3.24327835     2.83328456     0.72142882
                                       -7.31550927    -1.86272120
                                                       2.95697824
     0.41142571    2    -0.38057445     1.48088044
                                       -3.50440273
     0.37642813    2     0.75431547     2.59088743
                                       -5.87558042
#
Ir GTH-PADE-q9 GTH-LDA-q9
    2    0    7
     0.64100000    1    10.72001591
    3
     0.50996044    2     2.44599887    -1.08871009
                                        2.81103736
     0.68497052    2     0.46179182    -0.55134721
                                        1.30472563
     0.47174528    2    -4.54548411     0.72115617
                                       -1.63542847
#
Pt GTH-PADE-q10 GTH-LDA-q10
    1    0    9
     0.61600000    1    11.02741707
    3
     0.52013211    2     2.44743006    -1.02260695
                                        2.64035978
     0.65897566    2     0.40845297    -0.69628711
                                        1.64771604
     0.45124318    2    -4.55229454     0.92706936
                                       -2.10239568
#
Pt GTH-PADE-q18 GTH-LDA-q18 GTH-PADE GTH-LDA
    3    6    9
     0.50000000    2     5.44583159     1.15638204
    3
     0.40994150    3     2.99436565     2.88489700     1.03520925
                                       -7.44877202    -2.67289879
                                                       4.24309529
     0.39865199    2    -0.22518140     1.59606293
                                       -3.77697426
     0.36796397    2     0.63206655     2.53790667
                                       -5.75543134
#
Au GTH-PADE-q1 GTH-LDA-q1
    1
     0.65000000    2    -1.96371223    -1.69812291
    2
     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
#
Au GTH-PADE-q11 GTH-LDA-q11 GTH-PADE GTH-LDA
    1    0   10
     0.59000000    1    11.60442790
    3
     0.52117975    2     2.53861359    -1.04613664
                                        2.70111320
     0.63061306    2     0.39485270    -0.86959213
                                        2.05783056
     0.44070643    2    -4.71906966     0.72777081
                                       -1.65042907
#
Au GTH-PADE-q19 GTH-LDA-q19
    3    6   10
     0.49000000    2     9.07322639    -0.34013367
    3
     0.28803780    3    -5.90182040    26.42537412   -15.50837777
                                      -59.33938963    40.04245923
                                                     -31.78271670
     0.35586747    2    -7.08858659     8.19796427
                                       -9.69996213
     0.33386175    2    -8.82572349     9.56535285
                                      -10.84609065
#
Hg GTH-PADE-q12 GTH-LDA-q12 GTH-PADE GTH-LDA
    2    0   10
     0.57000000    1     2.13457183
    3
     0.52180188    2     3.29392021    -1.80519780
                                        4.66100069
     0.62164790    2     2.10096040    -0.71415047
                                        1.68998846
     0.40189401    2    -1.66988578     1.09060737
                                       -2.47326503
#
Hg GTH-PADE-q2 GTH-LDA-q2
    2
     0.64000000    1    -3.29632880
    3
     0.81210780    3     1.76504143     0.18053035    -0.19516558
                                       -0.46612737     0.50391537
                                                      -0.79994085
     1.05371378    2     0.47405588     0.22473320
                                       -0.53181582
     1.10000000    1     0.12063831
#
Tl GTH-PADE-q13 GTH-LDA-q13 GTH-PADE GTH-LDA
    2    1   10
     0.55000000    1     7.30188582
    3
     0.50242266    2     3.32656022    -1.68141322
                                        4.34139027
     0.57201594    2     1.27280729    -1.26443781
                                        2.99220598
     0.39318504    2    -3.20065227     1.32653373
                                       -3.00829573
#
Tl GTH-PADE-q3 GTH-LDA-q3
    2    1
     0.63000000    1    -1.23584552
    3
     0.75400547    3     1.87576571     0.11761462    -0.19062668
                                       -0.30367964     0.49219597
                                                      -0.78133689
     0.90374170    2     0.75966830     0.24793467
                                       -0.58672051
     1.06351212    1     0.24761396
#
Pb GTH-PADE-q4 GTH-LDA-q4 GTH-PADE GTH-LDA
    2    2
     0.61750000    1     0.75314257
    3
     0.70525860    3     1.97992741     0.06388872    -0.19665860
                                       -0.16495996     0.50777033
                                                      -0.80606040
     0.84664106    2     0.86442030     0.22860106
                                       -0.54096885
     0.97193857    1     0.37496708
#
Bi GTH-PADE-q5 GTH-LDA-q5 GTH-PADE GTH-LDA
    2    3
     0.60500000    1     6.67943714
    3
     0.67885795    3     1.37763378     0.19895396    -0.11491910
                                       -0.51369691     0.29671983
                                                      -0.47102813
     0.79867267    2     0.65557809     0.17026993
                                       -0.40293219
     0.93468255    1     0.37847579
#
Po GTH-PADE-q6 GTH-LDA-q6 GTH-PADE GTH-LDA
    2    4
     0.59250000    1    10.41173070
    3
     0.64794961    3     1.14420296     0.28499406    -0.08280174
                                       -0.73585149     0.21379318
                                                      -0.33938616
     0.74894708    2     0.59456184     0.14942108
                                       -0.35359482
     0.88046840    1     0.43323228
#
At GTH-PADE-q7 GTH-LDA-q7 GTH-PADE GTH-LDA
    2    5
     0.58000000    1    13.52041116
    3
     0.62782694    3     0.94555652     0.37409257    -0.04645981
                                       -0.96590285     0.11995872
                                                      -0.19042856
     0.70982320    2     0.52707805     0.13472635
                                       -0.31882073
     0.83836499    1     0.46894787
#
Rn GTH-PADE-q8 GTH-LDA-q8 GTH-PADE GTH-LDA
    2    6
     0.57000000    1    14.62918461
    3
     0.61518195    3     0.98183224     0.40238854    -0.02938821
                                       -1.03896274     0.07588004
                                                      -0.12045584
     0.67669721    2     0.61227859     0.14541822
                                       -0.34412231
     0.78833715    1     0.55774596
#
Ac GTH-PADE-q11 GTH-LDA-q11
    4    6    1
     0.49000000    2    50.96215957    -5.77145929
    4
     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
     0.78496695    2     0.23832322     0.60098946
                                       -0.68145799
     0.33009159    1   -15.90234948
#
Ac GTH-PADE-q29 GTH-LDA-q29
    6   12   11
     0.24500000    2   168.81599390    -8.22316581
    4
     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
     0.30674176    2     1.29796313    -1.76001284
                                        1.99566698
     0.23547253    1     0.12648685
#
Th GTH-PADE-q12 GTH-LDA-q12
    4    6    2
     0.49000000    2    49.87527847    -5.00489107
    4
     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
     0.77182095    2     0.19225660     0.60836949
                                       -0.68982616
     0.32933743    1   -16.27257311
#
Th GTH-PADE-q30 GTH-LDA-q30
    6   12   12
     0.24500000    2   166.87172630    -9.94708736
    4
     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
     0.34711740    2     1.56649500    -1.99045889
                                        2.25696824
     0.21173600    1    -1.43520455
#
Pa GTH-PADE-q13 GTH-LDA-q13
    4    6    1    2
     0.48500000    2    50.21042987    -4.67785813
    4
     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
     0.73009135    2     0.34655494     0.49045139
                                       -0.55611961
     0.32693110    1   -16.53360481
#
Pa GTH-PADE-q31 GTH-LDA-q31
    6   12   11    2
     0.24250000    2   169.55767380   -10.19164913
    4
     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
     0.34273192    2     1.92255965    -2.50092459
                                        2.83578194
     0.21689343    1    -1.72171982
#
U GTH-PADE-q14 GTH-LDA-q14
    4    6    1    3
     0.48000000    2    48.91835510    -4.65380016
    4
     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
     0.67698822    2     0.56202433     0.45941134
                                       -0.52092350
     0.32136994    1   -16.59071643
#
U GTH-PADE-q32 GTH-LDA-q32
    6   12   11    3
     0.24000000    2   168.30048480    -9.54947058
    4
     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
     0.33494065    2     2.23454409    -3.00781223
                                        3.41053849
     0.21974441    1    -2.12558124
#
Np GTH-PADE-q15 GTH-LDA-q15
    4    6    1    4
     0.47500000    2    47.41752938    -4.29399238
    4
     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
     0.68848297    2     0.38448383     0.53471269
                                       -0.60630720
     0.31620990    1   -16.83541963
#
Np GTH-PADE-q33 GTH-LDA-q33
    6   12   11    4
     0.23750000    2   169.20405090    -9.99299996
    4
     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
     0.32972661    2     2.38695303    -3.14342811
                                        3.56431245
     0.21994233    1    -2.14290505
#
Pu GTH-PADE-q16 GTH-LDA-q16
    4    6    0    6
     0.47000000    2    47.45124733    -3.54897313
    4
     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
     0.66919182    2     0.44060277     0.39248064
                                       -0.44503121
     0.31665469    1   -17.01355118
#
Pu GTH-PADE-q34 GTH-LDA-q34
    6   12   10    6
     0.23500000    2   167.66884840    -9.86812047
    4
     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
     0.32944770    2     2.70299077    -3.44741765
                                        3.90900419
     0.22083468    1    -2.12563334
#
Am GTH-PADE-q17 GTH-LDA-q17
    4    6    0    7
     0.46500000    2    46.56622033    -3.48413796
    4
     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
     0.65855719    2     0.41642559     0.43044271
                                       -0.48807616
     0.31113391    1   -17.29824454
#
Am GTH-PADE-q35 GTH-LDA-q35
    6   12   10    7
     0.23250000    2   169.46800700   -10.16239620
    4
     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
     0.32413432    2     3.12075382    -3.96829791
                                        4.49962688
     0.22072229    1    -2.24956217
#
Cm GTH-PADE-q18 GTH-LDA-q18
    4    6    1    7
     0.46000000    2    44.50621749    -2.77391345
    4
     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
     0.66591913    2     0.24987082     0.50601659
                                       -0.57376888
     0.30864176    1   -17.27054370
#
Cm GTH-PADE-q36 GTH-LDA-q36
    6   12   11    7
     0.23000000    2   169.60848300    -9.75498899
    4
     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
     0.31283092    2     3.01179256    -3.93792483
                                        4.46518705
     0.21694145    1    -2.65301234
#
Bk GTH-PADE-q19 GTH-LDA-q19
    4    6    0    9
     0.45500000    2    44.89407939    -2.82482879
    4
     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
     0.62880944    2     0.43133739     0.40395712
                                       -0.45804431
     0.30365003    1   -17.79595077
#
Bk GTH-PADE-q37 GTH-LDA-q37
    6   12   10    9
     0.22750000    2   169.60578390   -10.57061301
    4
     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
     0.31397326    2     3.14997301    -3.81169176
                                        4.32205220
     0.20837218    1    -2.83493744
#
Cf GTH-PADE-q20 GTH-LDA-q20
    4    6    0   10
     0.45000000    2    42.88887938    -2.10550607
    4
     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
     0.61205655    2     0.44056582     0.36210195
                                       -0.41058502
     0.30214176    1   -17.66171245
#
Cf GTH-PADE-q38 GTH-LDA-q38
    6   12   10   10
     0.22500000    2   169.95376700    -9.58336306
    4
     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
     0.30749995    2     4.35423506    -5.54276313
                                        6.28490264
     0.21732723    1    -2.77660385
#
Es GTH-PADE-q21 GTH-LDA-q21
    4    6    0   11
     0.44500000    2    41.49567519    -1.72675445
    4
     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
     0.59942433    2     0.44196866     0.35791371
                                       -0.40583600
     0.29835517    1   -17.81123050
#
Es GTH-PADE-q39 GTH-LDA-q39
    6   12   10   11
     0.22250000    2   170.20612880    -9.35257848
    4
     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
     0.30249339    2     4.94977081    -6.27917535
                                        7.11991560
     0.21779864    1    -2.81483897
#
Fm GTH-PADE-q22 GTH-LDA-q22
    4    6    0   12
     0.44000000    2    39.92429616    -1.33980993
    4
     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
     0.59926169    2     0.35790400     0.40218689
                                       -0.45603706
     0.29484225    1   -17.87461540
#
Fm GTH-PADE-q40 GTH-LDA-q40
    6   12   10   12
     0.22000000    2   170.56726180    -9.24043151
    4
     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
     0.29766121    2     5.39272855    -6.77491968
                                        7.68203684
     0.21641138    1    -2.88318828
#
Md GTH-PADE-q23 GTH-LDA-q23
    4    6    0   13
     0.43500000    2    38.69487281    -1.16554631
    4
     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
     0.58435627    2     0.38421854     0.41584344
                                       -0.47152214
     0.29041671    1   -18.04214205
#
Md GTH-PADE-q41 GTH-LDA-q41
    6   12   10   13
     0.21750000    2   171.21975470    -8.96585330
    4
     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
     0.29264317    2     6.20916266    -7.78755324
                                        8.83025537
     0.21520316    1    -3.03041931
#
No GTH-PADE-q24 GTH-LDA-q24
    4    6    0   14
     0.43000000    2    37.64993707    -0.71035344
    4
     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
     0.58590977    2     0.29720777     0.42743294
                                       -0.48466340
     0.28762698    1   -18.23169072
#
No GTH-PADE-q42 GTH-LDA-q42
    6   12   10   14
     0.21500000    2   170.20112220    -8.36649541
    4
     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
     0.28784304    2     6.66352087    -8.30436850
                                        9.41626879
     0.21423411    1    -3.09688705
#
Lr GTH-PADE-q25 GTH-LDA-q25
    4    7    0   14
     0.42500000    2    36.50044813    -0.04513472
    4
     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
     0.55453852    2     0.37725597     0.38451952
                                       -0.43600416
     0.28435978    1   -18.63735470
#
Lr GTH-PADE-q43 GTH-LDA-q43
    6   13   10   14
     0.21250000    2   169.88067920   -19.18433618
    4
     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
     0.50138601    2     1.63784418    -0.09640327
                                        0.10931104
     0.23146733    1    -0.76015820
#
################################################################################
#
# PBE functional
#
################################################################################
#
H GTH-PBE-q1 GTH-PBE
    1
     0.20000000    2    -4.17890044     0.72446331
    0
#
He GTH-PBE-q2 GTH-PBE
    2
     0.20000000    2    -9.12214383     1.70270770
    0
#
Li GTH-PBE-q3 GTH-PBE
    3
     0.40000000    4   -14.08115455     9.62621962    -1.78361605     0.08515207
    0
#
Be GTH-PBE-q4 GTH-PBE
    4
     0.32500000    4   -24.06746684    17.27902186    -3.33910629     0.16554912
    0
#
B GTH-PBE-q3 GTH-PBE
    2    1
     0.41899145    2    -5.85946171     0.90375643
    2
     0.37132046    1     6.29728018
     0.36456308    0
#
C GTH-PBE-q4 GTH-PBE
    2    2
     0.33847124    2    -8.80367398     1.33921085
    2
     0.30257575    1     9.62248665
     0.29150694    0
#
N GTH-PBE-q5 GTH-PBE
    2    3
     0.28379051    2   -12.41522559     1.86809592
    2
     0.25540500    1    13.63026257
     0.24549453    0
#
O GTH-PBE-q6 GTH-PBE
    2    4
     0.24455430    2   -16.66721480     2.48731132
    2
     0.22095592    1    18.33745811
     0.21133247    0
#
F GTH-PBE-q7 GTH-PBE
    2    5
     0.21492959    2   -21.57302836     3.19977615
    2
     0.19468402    1    23.74354045
     0.18615608    0
#
Ne GTH-PBE-q8 GTH-PBE
    2    6
     0.19000000    2   -27.12015973     4.36044962
    2
     0.17605938    2    28.17737082     0.83365601
                                       -1.07624528
     0.19547452    1    -0.23629360
#
Na GTH-PBE-q1
    1
     0.71392610    1    -3.15164518
    2
     0.76012915    2     1.91260929    -0.16720348
                                        0.21585877
     0.88846911    1     0.50929900
#
Na GTH-PBE-q9 GTH-PBE
    3    6
     0.18000000    2    -8.87992393     3.94443828
    2
     0.14024412    1    38.69439882
     0.14800396    1    -7.53326705
#
Na GTH-PBE-q9_old
    3    6
     0.23652322    2     0.29510499    -0.91388488
    2
     0.14356046    1    34.60149228
     0.12993224    1   -14.27746168
#
Mg GTH-PBE-q10 GTH-PBE
    4    6
     0.19275787    2   -20.57539077     3.04016732
    2
     0.14140682    1    41.04729209
     0.10293187    1    -9.98562566
#
Mg GTH-PBE-q2
    2
     0.57696017    1    -2.69040744
    2
     0.59392350    2     3.50321099    -0.71677167
                                        0.92534825
     0.70715728    1     0.83115848
#
Al GTH-PBE-q3 GTH-PBE
    2    1
     0.45000000    1    -7.55476126
    2
     0.48743529    2     6.95993832    -1.88883584
                                        2.43847659
     0.56218949    1     1.86529857
#
Si GTH-PBE-q4 GTH-PBE
    2    2
     0.44000000    1    -6.26928833
    2
     0.43563383    2     8.95174150    -2.70627082
                                        3.49378060
     0.49794218    1     2.43127673
#
P GTH-PBE-q5 GTH-PBE
    2    3
     0.43000000    1    -5.87594327
    2
     0.39637742    2    11.00886207    -3.47035607
                                        4.48021042
     0.44829838    1     3.05606416
#
S GTH-PBE-q6 GTH-PBE
    2    4
     0.42000000    1    -5.98626038
    2
     0.36482035    2    13.14354448    -4.24183045
                                        5.47617957
     0.40948048    1     3.70089057
#
Cl GTH-PBE-q7 GTH-PBE
    2    5
     0.41000000    1    -6.39208181
    2
     0.33953864    2    15.21898983    -4.93452321
                                        6.37044208
     0.37847416    1     4.33877527
#
Ar GTH-PBE-q8 GTH-PBE
    2    6
     0.40000000    1    -7.10000000
    2
     0.31881468    2    17.25203807    -5.58548836
                                        7.21083447
     0.35337019    1     4.97421551
#
K GTH-PBE-q9 GTH-PBE
    3    6
     0.40000000    2    -3.36355184    -1.08652975
    2
     0.30531772    2    17.85062321    -5.62264870
                                        7.25880826
     0.31648432    2     7.33378021    -2.46094505
                                        2.91182945
#
Ca GTH-PBE-q10 GTH-PBE
    4    6
     0.39000000    2    -4.16707222    -1.58379781
    3
     0.28935572    2    20.53187635    -7.12978578
                                        9.20451387
     0.32788206    2     5.80560513    -0.42875336
                                        0.50730782
     0.67961713    1     0.05806826
#
Sc GTH-PBE-q11 GTH-PBE
    4    6    1
     0.38500000    2     8.21490030    -0.55705910
    3
     0.36361108    2     2.64653339     3.02108393
                                       -3.90020259
     0.24389778    2    -2.63482265     7.99213715
                                       -9.45642421
     0.25320575    1    -8.16594769
#
Ti GTH-PBE-q12 GTH-PBE
    4    6    2
     0.38000000    2     8.71144218    -0.70028677
    3
     0.33777078    2     2.57526386     3.69297065
                                       -4.76760461
     0.24253135    2    -4.63054123     8.87087502
                                      -10.49616087
     0.24331694    1    -9.40665268
#
V GTH-PBE-q13 GTH-PBE
    4    6    3
     0.37500000    2     7.47470354    -0.37026363
    3
     0.32779544    2     1.94087762     4.72568824
                                       -6.10083728
     0.24476590    2    -5.97816705     9.35863915
                                      -11.07329118
     0.24173879    1    -9.49989110
#
Cr GTH-PBE-q14 GTH-PBE
    3    6    5
     0.37000000    2     5.69965764    -0.69548599
    3
     0.31393442    2     2.86995474     4.97445648
                                       -6.42199570
     0.24086624    2    -4.47620867     7.33141440
                                       -8.67464650
     0.22028633    1   -11.19711641
#
Mn GTH-PBE-q15 GTH-PBE
    4    6    5
     0.36500000    2     6.09304649    -0.44646948
    3
     0.29568592    2     1.88711984     6.35683658
                                       -8.20664074
     0.24561261    2    -6.57002452     7.98335983
                                       -9.44603874
     0.22252279    1   -11.61205092
#
Fe GTH-PBE-q16 GTH-PBE
    4    6    6
     0.36000000    2     6.75678916    -0.22883251
    3
     0.27826303    2     0.62950570     7.91313242
                                      -10.21581002
     0.25138338    2    -7.93213293     7.69707888
                                       -9.10730654
     0.22285578    1   -12.38579937
#
Co GTH-PBE-q17 GTH-PBE
    4    6    7
     0.35500000    2     4.82819736     0.36814301
    3
     0.27680076    2    -0.58449582     9.28629277
                                      -11.98855242
     0.26815783    2    -6.85195349     5.68013280
                                       -6.72082376
     0.22258414    1   -12.33315019
#
Ni GTH-PBE-q18 GTH-PBE
    4    6    8
     0.35000000    2     2.10216598     0.64848387
    3
     0.26129530    2     0.62265847     9.97022667
                                      -12.87150729
     0.22425346    2   -11.14270822    12.42956644
                                      -14.70686134
     0.21534825    1   -12.62814550
#
Cu GTH-PBE-q11 GTH-PBE
    1    0   10
     0.53000000    0
    3
     0.43135505    3     9.69380507    -6.47016535     1.93595215
                                       11.50177396    -4.99860696
                                                       3.96752127
     0.56139155    2     2.54547330    -0.78463573
                                        0.92839352
     0.26455485    1   -12.82861406
#
Cu GTH-PBE-q19
    3    6   10
     0.34500000    2     0.05196970     1.24904337
    3
     0.25002849    2     0.75019332    10.73582127
                                      -13.85988567
     0.22202454    2   -13.05959885    14.74763830
                                      -17.44964096
     0.21556837    1   -12.45672374
#
Zn GTH-PBE-q12 GTH-PBE
    2    0   10
     0.51000000    0
    3
     0.40031644    3    11.53004133    -8.79189815     3.14508644
                                       16.46577518    -8.12057827
                                                       6.44550918
     0.54318233    2     2.59719512    -0.59426275
                                        0.70314117
     0.25095885    1   -14.46695795
#
Zn GTH-PBE-q20
    4    6   10
     0.34000000    2     0.55188462     1.24394356
    3
     0.24394890    2    -1.34762699    12.79313122
                                      -16.51586139
     0.23975357    2    -9.72145777     8.07114357
                                       -9.54990586
     0.20855195    1   -14.19380873
#
Ga GTH-PBE-q13 GTH-PBE
    2    1   10
     0.49000000    0
    3
     0.41677723    3    10.47568975    -4.92176814     0.87070559
                                        7.77017809    -2.24815216
                                                       1.78441545
     0.56962652    2     1.77798534     0.19585976
                                       -0.23174439
     0.23812650    1   -16.24868022
#
Ga GTH-PBE-q3
    2    1
     0.56000000    0
    3
     0.56586645    3     2.21575051     1.03244793    -0.76062946
                                       -2.57004845     1.96393682
                                                      -1.55882652
     0.64671613    2     0.31122394     0.61341605
                                       -0.72580366
     0.99942484    1     0.08951951
#
Ge GTH-PBE-q4 GTH-PBE
    2    2
     0.54000000    0
    3
     0.42186518    3     7.51024121    -0.58810836    -1.44797580
                                       -1.59588819     3.73865744
                                                      -2.96746735
     0.56752887    2     0.91385969     0.54687534
                                       -0.64707163
     0.81391394    1     0.19717731
#
As GTH-PBE-q5 GTH-PBE
    2    3
     0.52000000    0
    3
     0.45554957    3     5.52067327     0.03512220    -1.06108239
                                       -1.77119320     2.73970295
                                                      -2.17457180
     0.55460557    2     1.02179156     0.62920826
                                       -0.74448925
     0.70368872    1     0.31479504
#
Se GTH-PBE-q6 GTH-PBE
    2    4
     0.51000000    0
    3
     0.43246005    3     6.51810990    -0.22271639    -1.19612899
                                       -1.65797833     3.08839178
                                                      -2.45133498
     0.47049162    2     2.28126223     0.36533529
                                       -0.43227055
     0.62560034    1     0.43979948
#
Br GTH-PBE-q7 GTH-PBE
    2    5
     0.50000000    0
    3
     0.43803892    3     6.07855632     0.33049817    -1.23838226
                                       -2.44090020     3.19748924
                                                      -2.53792841
     0.45313561    2     2.45930381     0.52275313
                                       -0.61852985
     0.56771383    1     0.55926645
#
Kr GTH-PBE-q8 GTH-PBE
    2    6
     0.50000000    0
    3
     0.42165717    3     6.46530358     0.53866049    -1.50260118
                                       -3.13938870     3.87969957
                                                      -3.07941607
     0.43374437    2     2.60116535     0.70510978
                                       -0.83429715
     0.52469073    1     0.63559472
#
Rb GTH-PBE-q9 GTH-PBE
    3    6
     0.49000000    2     5.66908644    -0.81162703
    3
     0.28180292    2    21.39073240    -8.07866676
                                       10.42951394
     0.28570828    2    12.25634859   -12.19854075
                                       14.43350807
     0.54179651    1     0.34566626
#
Sr GTH-PBE-q10 GTH-PBE
    4    6
     0.48000000    2     6.81095035    -1.19610979
    3
     0.27588581    2    21.28971943    -7.89903416
                                       10.19760926
     0.28174086    2    11.70905135   -10.96577673
                                       12.97488200
     0.52108911    1     0.36053906
#
Y GTH-PBE-q11 GTH-PBE
    4    6    1
     0.47500000    2    12.16776904    -2.32855103
    3
     0.24674070    2    23.45027195    -8.32535748
                                       10.74799029
     0.29656397    2     5.97863401    -5.85234964
                                        6.92459348
     0.45045569    2     1.18749048    -1.31867331
                                        1.49523499
#
Zr GTH-PBE-q12 GTH-PBE
    4    6    2
     0.47000000    2     7.79605677    -1.89321030
    3
     0.25982885    2    23.38087417    -8.57193933
                                       11.06632609
     0.28896899    2     8.59276581    -5.37735808
                                        6.36257589
     0.58124504    2     0.02781064     0.27686186
                                       -0.31393184
#
Nb GTH-PBE-q13 GTH-PBE
    3    6    4
     0.46000000    2    26.27526252    -4.57803146
    3
     0.35116942    2    -1.04371870     3.27790404
                                       -4.23175592
     0.40546040    2    -0.66246647    -0.90782868
                                        1.07415738
     0.42212155    2     1.49409323    -3.43003953
                                        3.88929925
#
Mo GTH-PBE-q14 GTH-PBE
    3    6    5
     0.43000000    2    28.60936832    -4.72180336
    3
     0.34521579    2     0.14630305     2.76200500
                                       -3.56573312
     0.41688762    2    -0.19078495    -0.72874402
                                        0.86226156
     0.42050785    2     1.21681419    -2.68646267
                                        3.04616234
#
Tc GTH-PBE-q15 GTH-PBE
    3    6    6
     0.43000000    2    27.30199947    -4.64715709
    3
     0.34617499    2    -0.37921852     3.34056578
                                       -4.31265188
     0.42346840    2    -0.24151639    -0.82215042
                                        0.97278149
     0.43186468    2     1.21878473    -2.67400954
                                        3.03204182
#
Ru GTH-PBE-q16 GTH-PBE
    3    6    7
     0.43000000    2    26.83239104    -5.05049720
    3
     0.34135508    2    -0.55504091     3.71548964
                                       -4.79667650
     0.42827085    2     0.10677508    -1.27757181
                                        1.51164335
     0.43814779    2     1.50921742    -2.94305440
                                        3.33711002
#
Ru GTH-PBE-q8
    1    0    7
     0.61211332    1     5.04489332
    3
     0.64215040    2     4.62556355    -1.80334903
                                        2.32811359
     0.67936654    2     3.23395238    -2.42101064
                                        2.86457842
     0.38059720    2   -15.53165455    13.58045054
                                      -15.39878349
#
Rh GTH-PBE-q17 GTH-PBE
    3    6    8
     0.42000000    2    26.20679340    -4.93738335
    3
     0.34544622    2    -0.45248232     3.89280438
                                       -5.02558885
     0.37838014    2    -0.94111242    -0.00569931
                                        0.00674351
     0.43374725    2     1.57423622    -3.01217170
                                        3.41548166
#
Rh GTH-PBE-q9
    1    0    8
     0.61900948    1     4.70454397
    3
     0.61332681    2     4.99320515    -1.92978191
                                        2.49133773
     0.69365000    2     2.53237506    -1.28086042
                                        1.51553449
     0.37003772    2   -16.88260377    14.71821684
                                      -16.68888922
#
Pd GTH-PBE-q10
    0    0   10
     0.59600000    1     5.29987401
    3
     0.59194990    2     5.30819456    -2.06237933
                                        2.66252027
     0.66628526    2     2.73458446    -1.46697005
                                        1.73574237
     0.43851839    2    -3.71978832    -0.80738825
                                        0.91549223
#
Pd GTH-PBE-q18 GTH-PBE
    2    6   10
     0.41000000    2    26.78365917    -4.93130594
    3
     0.33797077    2    -0.71872875     4.38486657
                                       -5.66083840
     0.41519591    2    -0.04624449    -1.07795233
                                        1.27545040
     0.44027049    2     1.63916358    -3.09368795
                                        3.50791241
#
Ag GTH-PBE-q11 GTH-PBE
    1    0   10
     0.57000000    1     0.03341912
    3
     0.52704461    3     9.58204535    -5.27424043     0.99704725
                                        8.43071259    -2.57436494
                                                       2.04333882
     0.62911218    2     3.87401904    -1.74211583
                                        2.06129925
     0.40538186    2    -2.72495276    -0.43354851
                                        0.49159781
#
Ag GTH-PBE-q19
    3    6   10
     0.40000000    2    24.53317558    -4.21395181
    3
     0.31760029    2     0.62551338     4.28490995
                                       -5.53179495
     0.41962178    2    -0.19050165    -0.61441835
                                        0.72698960
     0.45640092    2     1.75125916    -3.09368795
                                        3.50791241
#
Cd GTH-PBE-q12 GTH-PBE
    2    0   10
     0.55000000    1     3.63395858
    3
     0.49127900    3    10.11138228    -6.50695409     1.80457679
                                       11.33558598    -4.65939724
                                                       3.69828191
     0.59970999    2     4.00148729    -1.88393578
                                        2.22910288
     0.37787256    2    -6.13703223     1.53571055
                                       -1.74133209
#
In GTH-PBE-q13 GTH-PBE
    2    1   10
     0.53000000    1     3.32478546
    3
     0.47949521    3    11.11716024    -6.57350729     1.50686327
                                       10.93727471    -3.89070422
                                                       3.08815074
     0.56993285    2     4.70061419    -2.21706406
                                        2.62326557
     0.37706890    2    -4.00228785    -0.84012846
                                        0.95261614
#
In GTH-PBE-q3
    2    1
     0.61000000    1     5.08622849
    3
     0.68888318    3     0.56228376     0.99900413    -0.48093816
                                       -2.07195476     1.24177699
                                                      -0.98562993
     0.76370974    2     0.10892299     0.42327835
                                       -0.50082970
     1.14391192    1     0.11683948
#
Sn GTH-PBE-q4 GTH-PBE
    2    2
     0.60500000    1     6.26678230
    3
     0.56643732    3     1.57118124     1.47004118    -1.17857669
                                       -3.81477013     3.04307193
                                                      -2.41536347
     0.64184959    2     0.52689769     0.40325781
                                       -0.47714107
     0.99087302    1     0.19876639
#
Sb GTH-PBE-q5 GTH-PBE
    2    3
     0.59000000    1     7.92852084
    3
     0.55613636    3     1.43047790     1.26142599    -0.92323353
                                       -3.13013340     2.38377872
                                                      -1.89206570
     0.62275507    2     0.56147233     0.30484522
                                       -0.36069773
     0.88948576    1     0.27086864
#
Te GTH-PBE-q6 GTH-PBE
    2    4
     0.57500000    1     8.71364868
    3
     0.57492240    3     1.40181273     0.97877992    -0.48630602
                                       -2.05457624     1.25563675
                                                      -0.99663078
     0.58989076    2     0.76478865     0.32398623
                                       -0.38334568
     0.81338925    1     0.34485820
#
I GTH-PBE-q7 GTH-PBE
    2    5
     0.56000000    1     8.20710157
    3
     0.53192813    3     2.30814581     1.00390933    -0.95915606
                                       -2.85610882     2.47653030
                                                      -1.96568498
     0.58918244    2     0.90648219     0.42507060
                                       -0.50295032
     0.73972147    1     0.47919458
#
Xe GTH-PBE-q8 GTH-PBE
    2    6
     0.56000000    1     8.03636262
    3
     0.53049420    3     2.23202148     1.20035836    -0.99849824
                                       -3.17371348     2.57811136
                                                      -2.04631245
     0.58177483    2     0.79698181     0.59123264
                                       -0.69955590
     0.68554509    1     0.56018900
#
Cs GTH-PBE-q9 GTH-PBE
    3    6
     0.54000000    2    33.31331676    -2.92121670
    4
     0.46189568    2    -3.32292700     2.45565338
                                       -3.17023488
     0.36635860    2    -4.95076405     0.84038977
                                       -0.99436259
     0.76150193    1     0.19840723
     0.59701503    1    -1.55056693
#
Ba GTH-PBE-q10 GTH-PBE
    4    6
     0.54000000    2    24.52678070    -2.46867001
    4
     0.49206839    2     0.09515093     1.16931840
                                       -1.50958357
     0.39148930    2     0.80018261    -1.61683907
                                        1.91306979
     0.67217348    1     0.38853100
     0.30049773    1   -19.65379452
#
La GTH-PBE-q11 GTH-PBE
    4    6    1
     0.53500000    2    20.68980469    -1.70327035
    4
     0.56144723    2    -0.02823977     1.07859821
                                       -1.39246430
     0.47517309    2     0.26802268     0.67328503
                                       -0.79664160
     0.62908399    1     0.38022718
     0.29911708    1   -18.44354886
#
Ce GTH-PBE-q12 GTH-PBE
    4    6    1    1
     0.52480035    2    18.46313266    -0.35928475
    4
     0.52899318    2    -0.46945550     1.68519941
                                       -2.17558308
     0.47758674    2    -0.85915259     1.49893178
                                       -1.77356000
     0.65909303    1     0.10742047
     0.30186583    1   -17.66735258
#
Ce GTH-PBE-q30
    6   12   11    1
     0.20000000    2   148.23700910     3.91725495
    4
     0.24060899    2     2.21770923     4.21351645
                                       -5.43962635
     0.16613857    3    -4.53697472    11.78843522     0.01475880
                                      -13.92369350    -0.03492570
                                                       0.02482188
     0.17161109    1   -15.00199037
     0.26526997    1    -4.75946878
#
Pr GTH-PBE-q13 GTH-PBE
    4    6    0    3
     0.53188976    2    16.83551414    -0.43235649
    4
     0.52415103    2    -0.50975406     1.84037783
                                       -2.37591756
     0.48546735    2    -0.98189616     1.60445908
                                       -1.89842158
     0.71653344    1     0.05575046
     0.29937329    1   -17.49550069
#
Nd GTH-PBE-q14 GTH-PBE
    4    6    0    4
     0.52991298    2    17.80646346    -0.32095543
    4
     0.50114025    2    -1.36443892     2.46474917
                                       -3.18197749
     0.50039105    2    -1.55942619     1.53939247
                                       -1.82143373
     0.33431765    1    -1.70064367
     0.29567529    1   -18.64327128
#
Pm GTH-PBE-q15 GTH-PBE
    4    6    0    5
     0.52793919    2    17.84482075    -0.36133182
    4
     0.48944396    2    -1.72725500     2.81006693
                                       -3.62778081
     0.49132954    2    -1.87193192     1.65260118
                                       -1.95538409
     0.47893079    1    -0.44781450
     0.29022183    1   -19.51693564
#
Sm GTH-PBE-q16 GTH-PBE
    4    6    0    6
     0.52466086    2    16.51148828    -0.24504217
    4
     0.48687809    2    -1.59045606     2.90667135
                                       -3.75249657
     0.49648709    2    -1.75047341     1.54491665
                                       -1.82797004
     0.49241328    1    -0.41980527
     0.28444353    1   -19.88144667
#
Eu GTH-PBE-q17 GTH-PBE
    4    6    0    7
     0.52072219    2    17.93467530    -0.57606530
    4
     0.46955990    2    -2.07710390     3.25447577
                                       -4.20151015
     0.46644592    2    -2.34175427     2.29907112
                                       -2.72029763
     0.47357383    1    -0.59831876
     0.27831058    1   -21.30605878
#
Gd GTH-PBE-q18 GTH-PBE
    4    6    1    7
     0.52126799    2    18.10313196    -0.51440770
    4
     0.45805877    2    -2.87481761     3.91661136
                                       -5.05632353
     0.46124964    2    -3.05406750     2.55197375
                                       -3.01953606
     0.48332992    1    -0.84348188
     0.27559144    1   -22.18390606
#
Tb GTH-PBE-q19 GTH-PBE
    4    6    0    9
     0.51588228    2    17.15783725    -0.66955170
    4
     0.45376626    2    -2.42821095     3.74357813
                                       -4.83293859
     0.45360450    2    -2.68351507     2.30311187
                                       -2.72507871
     0.47258283    1    -0.72646091
     0.26876196    1   -22.75147607
#
Dy GTH-PBE-q20 GTH-PBE
    4    6    0   10
     0.51029687    2    17.67093508    -0.86787770
    4
     0.44212348    2    -2.71573384     4.01788426
                                       -5.18706627
     0.45017230    2    -2.77347535     2.20115245
                                       -2.60443870
     0.47116514    1    -0.75227561
     0.26180741    1   -24.24856414
#
Ho GTH-PBE-q21 GTH-PBE
    4    6    0   11
     0.51034519    2    17.00694728    -1.14166376
    4
     0.43408065    2    -2.64595349     4.10374692
                                       -5.29791449
     0.43159817    2    -3.06100899     2.73161511
                                       -3.23209058
     0.45020006    1    -0.82014316
     0.25514026    1   -25.40966658
#
Er GTH-PBE-q22 GTH-PBE
    4    6    0   12
     0.50173422    2    17.22416099    -1.23324605
    4
     0.42576787    2    -2.61580658     4.19913757
                                       -5.42106329
     0.41793960    2    -3.15341814     3.17618553
                                       -3.75811340
     0.43046826    1    -0.89805056
     0.24914231    1   -26.58720599
#
Tm GTH-PBE-q23 GTH-PBE
    4    6    0   13
     0.50234443    2    17.68675860    -1.59907075
    4
     0.41312714    2    -3.20033933     4.64501695
                                       -5.99669110
     0.41759033    2    -3.17289513     2.80513657
                                       -3.31908235
     0.39281519    1    -1.44965467
     0.24385920    1   -28.31696046
#
Yb GTH-PBE-q24 GTH-PBE
    4    6    0   14
     0.49808783    2    17.08328394    -1.56295270
    4
     0.40553079    2    -3.55061134     5.03314458
                                       -6.49776171
     0.42489671    2    -3.13538311     2.14082491
                                       -2.53305819
     0.44507157    1    -0.91407703
     0.23857822    1   -29.66528314
#
Lu GTH-PBE-q25 GTH-PBE
    4    6    1   14
     0.49611621    2    18.63208417    -1.51663710
    4
     0.39319895    2    -5.65573977     6.47885270
                                       -8.36416287
     0.41028936    2    -4.66078088     2.84645630
                                       -3.36797252
     0.43890201    1    -1.52277808
     0.23494399    1   -32.20596727
#
Hf GTH-PBE-q12 GTH-PBE
    4    6    2
     0.56000000    2    15.52236567    -2.43356678
    3
     0.31182849    3   -10.91013059    27.37264587   -14.96156977
                                      -59.67292892    38.63060703
                                                     -30.66209376
     0.36196660    2    -9.65170049     9.22329739
                                      -10.91315264
     0.41579070    2    -2.74891464     0.48133335
                                       -0.54578072
#
Ta GTH-PBE-q13 GTH-PBE
    4    6    3
     0.55000000    2    13.38520167    -2.25392008
    3
     0.40088312    3    -4.43670899     4.17648934     1.87560787
                                       -2.34114813    -4.84279868
                                                       3.84385229
     0.35654936    2    -7.62442808     8.17895534
                                       -9.67747047
     0.41822925    2    -1.11356085    -0.87533080
                                        0.99253183
#
Ta GTH-PBE-q5
    2    0    3
     0.74400000    1     9.83934257
    3
     0.45239666    2     6.12338066    -2.16890335
                                        2.80004218
     0.75164390    2     1.64970103    -2.51481038
                                        2.97556377
     0.50114181    2   -12.42334477     9.01473381
                                      -10.22174735
#
W GTH-PBE-q14 GTH-PBE
    4    6    4
     0.54000000    2    13.41481123    -2.21345603
    3
     0.39702790    3    -4.14121089     3.83542346     2.23317927
                                       -1.31924404    -5.76604408
                                                       4.57665561
     0.35353069    2    -7.45623626     8.11232637
                                       -9.59863401
     0.41210703    2    -0.95466075    -1.06744623
                                        1.21037026
#
W GTH-PBE-q6
    2    0    4
     0.71900000    1    10.69989013
    3
     0.46755372    2     5.80350289    -2.07063257
                                        2.67317516
     0.72666463    2     1.78871915    -2.55415819
                                        3.02212073
     0.49929065    2   -10.59832562     6.44789319
                                       -7.31122365
#
Re GTH-PBE-q15 GTH-PBE
    4    6    5
     0.53000000    2    13.46263143    -2.23492240
    3
     0.39380077    3    -3.71748055     3.15477903     2.85593500
                                        0.57237640    -7.37399245
                                                       5.85292506
     0.35253332    2    -7.05340425     7.56675835
                                       -8.95310922
     0.40186765    2    -0.90002359    -1.14917105
                                        1.30303749
#
Re GTH-PBE-q7
    2    0    5
     0.69300000    1    11.96194160
    3
     0.46331539    2     6.08700876    -2.19137969
                                        2.82905901
     0.70964824    2     1.81506156    -2.35412193
                                        2.78543463
     0.47606454    2   -12.39371002     8.00629664
                                       -9.07828707
#
Os GTH-PBE-q16 GTH-PBE
    4    6    6
     0.52000000    2    13.46303008    -2.24116983
    3
     0.39012207    3    -3.27416829     2.36003137     3.61101851
                                        2.82653464    -9.32360969
                                                       7.40038577
     0.34945025    2    -6.89928214     7.52931882
                                       -8.90881017
     0.39284207    2    -0.94268282    -1.08157042
                                        1.22638558
#
Os GTH-PBE-q8
    2    0    6
     0.66700000    1    13.07904899
    3
     0.49576015    2     4.35033878    -1.49680274
                                        1.93236403
     0.70116140    2     1.81669550    -1.99815917
                                        2.36425382
     0.47117333    2   -10.99598697     5.97918090
                                       -6.77975387
#
Ir GTH-PBE-q17 GTH-PBE
    4    6    7
     0.51000000    2    13.41080576    -2.34194822
    3
     0.38726411    3    -2.51628491     1.05519006     4.67505628
                                        6.24173509   -12.07094340
                                                       9.58101430
     0.34608307    2    -6.52615069     7.35318392
                                       -8.70040455
     0.37881290    2    -0.85595250    -1.17535111
                                        1.33272289
#
Ir GTH-PBE-q9
    2    0    7
     0.64100000    1    14.58181397
    3
     0.51010474    2     3.71524999    -1.26263745
                                        1.63005794
     0.68489160    2     1.91910152    -1.89619458
                                        2.24360769
     0.47173508    2    -8.85603130     3.17025312
                                       -3.59472915
#
Pt GTH-PBE-q10
    1    0    9
     0.61600000    1    11.31363525
    3
     0.55090426    2     4.73349110    -1.78459401
                                        2.30390096
     0.67413781    2     2.53479850    -1.77806555
                                        2.10383553
     0.45739243    2    -7.26401101     2.55866480
                                       -2.90125318
#
Pt GTH-PBE-q18 GTH-PBE
    3    6    9
     0.50000000    2     8.81432324    -0.29250943
    3
     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
     0.34053206    2    -8.58990455     9.41012200
                                      -10.67007542
#
Au GTH-PBE-q11 GTH-PBE
    1    0   10
     0.59000000    1    10.51717881
    3
     0.54384733    2     5.78681103    -2.25067966
                                        2.90561495
     0.60917298    2     4.28404873    -4.07128520
                                        4.81720962
     0.43730922    2    -7.40328124     3.01019307
                                       -3.41323811
#
Au GTH-PBE-q19
    3    6   10
     0.49000000    1     8.36945885
    3
     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
     0.34037313    2    -8.80458432     9.49191532
                                      -10.76282032
#
Hg GTH-PBE-q12 GTH-PBE
    2    0   10
     0.57000000    1     8.46784734
    3
     0.52978669    2     7.37124306    -2.96994403
                                        3.83418126
     0.63516596    2     3.55116141    -1.72290935
                                        2.03857383
     0.40798543    2    -8.61398015     5.00756120
                                       -5.67804069
#
Tl GTH-PBE-q13 GTH-PBE
    2    1   10
     0.55000000    1    12.29058515
    3
     0.51280306    2     7.19017017    -2.86301073
                                        3.69613096
     0.57711505    2     4.76094580    -3.67332496
                                        4.34633671
     0.39323001    2   -11.01268700     6.42159202
                                       -7.28140093
#
Tl GTH-PBE-q3
    2    1
     0.63000000    1     1.45272083
    3
     0.78076788    3     0.37973043     1.20912802    -0.45856792
                                       -2.30683834     1.18401727
                                                      -0.93978457
     0.89705009    2    -0.02423596     0.58235582
                                       -0.68905269
     1.09379194    1     0.22764152
#
Pb GTH-PBE-q14
    2    2   10
     0.53000000    1    12.57214281
    3
     0.49554891    2     8.42980665    -3.44005610
                                        4.44109332
     0.56934785    2     4.98150638    -2.89639920
                                        3.42706575
     0.40422413    2    -6.81491262     1.83782673
                                       -2.08389964
#
Pb GTH-PBE-q4 GTH-PBE
    2    2
     0.61750000    1     4.67238428
    3
     0.62235881    3     0.87991768     2.08114784    -1.43125710
                                       -5.01469016     3.69548994
                                                      -2.93320421
     0.81200202    2     0.15345679     0.47889785
                                       -0.56663958
     1.02501525    1     0.30170206
#
Bi GTH-PBE-q15
    2    3   10
     0.51000000    1    13.39622231
    3
     0.48120446    2     9.54548100    -3.94511418
                                        5.09312050
     0.54894636    2     5.63359371    -3.17713769
                                        3.75924002
     0.39730251    2    -6.03753705     0.92523553
                                       -1.04911848
#
Bi GTH-PBE-q5 GTH-PBE
    2    3
     0.60500000    1     7.94575692
    3
     0.58223216    3     0.64373527     2.24761617    -1.44060063
                                       -5.24479711     3.71961484
                                                      -2.95235275
     0.76639400    2     0.21253292     0.37983417
                                       -0.44942585
     0.96565479    1     0.34729822
#
Po GTH-PBE-q6 GTH-PBE
    2    4
     0.59250000    1     8.13432566
    3
     0.80422357    3     0.32633408     0.10539986     0.52809414
                                        0.72287456    -1.36353322
                                                       1.08227094
     0.81703652    2     0.15801481     0.37530247
                                       -0.44406387
     0.89014943    1     0.46253238
#
At GTH-PBE-q7 GTH-PBE
    2    5
     0.58000000    1    14.21716853
    3
     0.66580683    3    -0.37891203     0.66112626     0.27884944
                                       -0.39996168    -0.71998616
                                                       0.57147130
     0.65241195    2     0.26704745     0.32622823
                                       -0.38599845
     0.85406059    1     0.45259467
#
Rn GTH-PBE-q8 GTH-PBE
    2    6
     0.57000000    1    16.20061781
    3
     0.63480802    3    -0.58199405     0.80312797     0.29738605
                                       -0.55313531    -0.76784748
                                                       0.60946004
     0.64710877    2     0.16927880     0.30517348
                                       -0.36108613
     0.80634271    1     0.51103874
#
Ac GTH-PBE-q11
    4    6    1
     0.49000000    2    50.86278137    -5.56775618
    4
     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
     0.78831284    2     0.23978903     0.59309731
                                       -0.67250914
     0.33073367    1   -15.95176502
#
Ac GTH-PBE-q29
    6   12   11
     0.24500000    2   169.29361550    -8.10434686
    4
     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
     0.30637345    2     1.34627068    -1.80232651
                                        2.04364617
     0.22824512    1     0.31138755
#
Th GTH-PBE-q12
    4    6    2
     0.49000000    2    49.55786674    -4.67207708
    4
     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
     0.76746894    2     0.21347167     0.59047854
                                       -0.66953973
     0.32932562    1   -16.52656902
#
Th GTH-PBE-q30
    6   12   12
     0.24500000    2   150.17650670   -10.79015291
    4
     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
     0.55016400    2     0.70703414    -0.46593421
                                        0.52831973
     0.26468612    1    -0.00859379
#
Pa GTH-PBE-q13
    4    6    1    2
     0.48500000    2    49.77782695    -4.30053945
    4
     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
     0.72646559    2     0.37393007     0.46173976
                                       -0.52356367
     0.32684068    1   -16.76263558
#
Pa GTH-PBE-q31
    6   12   11    2
     0.24250000    2   150.19882800   -11.12938771
    4
     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
     0.54434590    2     0.77426912    -0.49954660
                                        0.56643260
     0.26125191    1    -0.11570212
#
U GTH-PBE-q14
    4    6    1    3
     0.48000000    2    48.87354675    -4.57722931
    4
     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
     0.67842129    2     0.54138665     0.47808584
                                       -0.54209839
     0.32142444    1   -16.65721471
#
U GTH-PBE-q14_old
    4    6    1    3
     0.48000000    2    48.86182633    -4.59713581
    4
     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
     0.67885536    2     0.53789816     0.48180765
                                       -0.54631852
     0.32134043    1   -16.65115610
#
U GTH-PBE-q32
    6   12   11    3
     0.24000000    2   151.02187550   -12.05891406
    4
     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
     0.52782702    2     0.96820465    -0.63182672
                                        0.71642416
     0.25665503    1    -0.15828618
#
Np GTH-PBE-q15
    4    6    1    4
     0.47500000    2    47.17711220    -4.09308134
    4
     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
     0.68727669    2     0.38507600     0.54049482
                                       -0.61286352
     0.31619745    1   -16.93327340
#
Np GTH-PBE-q33
    6   12   11    4
     0.23750000    2   151.39125680   -12.82282941
    4
     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
     0.51543337    2     1.15871234    -0.75460740
                                        0.85564436
     0.24971313    1    -0.21093255
#
Pu GTH-PBE-q16
    4    6    0    6
     0.47000000    2    47.05386065    -3.39784374
    4
     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
     0.67138733    2     0.41632791     0.42152676
                                       -0.47796642
     0.31645669    1   -17.04937375
#
Pu GTH-PBE-q34
    6   12   10    6
     0.23500000    2   151.95017040   -12.95192448
    4
     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
     0.50472158    2     1.22835902    -0.79838388
                                        0.90528222
     0.24734238    1    -0.31410592
#
Am GTH-PBE-q17
    4    6    0    7
     0.46500000    2    46.44887653    -3.30689271
    4
     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
     0.65670875    2     0.41682240     0.43799579
                                       -0.49664054
     0.31134893    1   -17.37147973
#
Am GTH-PBE-q35
    6   12   10    7
     0.23250000    2   153.36102340   -13.56557120
    4
     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
     0.49345528    2     1.37810717    -0.89158857
                                        1.01096641
     0.24177902    1    -0.38222766
#
Cm GTH-PBE-q18
    4    6    1    7
     0.46000000    2    44.45830128    -2.71887795
    4
     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
     0.66912314    2     0.21991444     0.53681111
                                       -0.60868658
     0.30849011    1   -17.31871635
#
Cm GTH-PBE-q36
    6   12   11    7
     0.23000000    2   153.86693490   -14.51781101
    4
     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
     0.47799309    2     1.71071732    -1.11919866
                                        1.26905199
     0.23572580    1    -0.36643270
#
Bk GTH-PBE-q19
    4    6    0    9
     0.45500000    2    44.64186925    -2.69685384
    4
     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
     0.63190588    2     0.40787660     0.42192985
                                       -0.47842348
     0.30342938    1   -17.85867446
#
Bk GTH-PBE-q37
    6   12   10    9
     0.22750000    2   157.20358530   -15.01495194
    4
     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
     0.46527745    2     1.79944113    -1.18965343
                                        1.34894020
     0.23449895    1    -0.44121587
#
Cf GTH-PBE-q20
    4    6    0   10
     0.45000000    2    42.65705689    -1.99079140
    4
     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
     0.61157533    2     0.42969828     0.38649613
                                       -0.43824541
     0.30212964    1   -17.67294232
#
Cf GTH-PBE-q38
    6   12   10   10
     0.22500000    2   160.33879830   -16.13294644
    4
     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
     0.45814869    2     2.00378277    -1.30119439
                                        1.47541575
     0.22750377    1    -0.47067063
#
Es GTH-PBE-q21
    4    6    0   11
     0.44500000    2    41.36910069    -1.61553886
    4
     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
     0.60081899    2     0.42659115     0.37379402
                                       -0.42384258
     0.29832735    1   -17.84920902
#
Es GTH-PBE-q39
    6   12   10   11
     0.22250000    2   161.00235540   -16.65689444
    4
     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
     0.44738123    2     2.26690718    -1.47855560
                                        1.67652446
     0.22782525    1    -0.45755416
#
Fm GTH-PBE-q22
    4    6    0   12
     0.44000000    2    39.77442009    -1.22954559
    4
     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
     0.59902206    2     0.34962852     0.41940397
                                       -0.47555941
     0.29487420    1   -17.88838894
#
Fm GTH-PBE-q40
    6   12   10   12
     0.22000000    2   163.79147600   -17.49470258
    4
     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
     0.44045308    2     2.45856295    -1.58020240
                                        1.79178110
     0.22281579    1    -0.48883806
#
Md GTH-PBE-q23
    4    6    0   13
     0.43500000    2    38.62992726    -1.08247653
    4
     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
     0.58425155    2     0.37529137     0.43167387
                                       -0.48947216
     0.29044722    1   -18.06344708
#
Md GTH-PBE-q41
    6   12   10   13
     0.21750000    2   164.84178560   -17.72713303
    4
     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
     0.42748516    2     2.72674274    -1.79169651
                                        2.03159289
     0.21769826    1    -0.55790731
#
No GTH-PBE-q24
    4    6    0   14
     0.43000000    2    37.58090142    -0.67005129
    4
     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
     0.58685336    2     0.28132974     0.45492737
                                       -0.51583915
     0.28747796    1   -18.24347081
#
No GTH-PBE-q42
    6   12   10   14
     0.21500000    2   164.49178550   -17.49236577
    4
     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
     0.43403789    2     2.62261276    -1.59475356
                                        1.80828056
     0.21793802    1    -0.68417292
#
Lr GTH-PBE-q25
    4    7    0   14
     0.42500000    2    36.54066192    -0.00767878
    4
     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
     0.55846666    2     0.34401143     0.42048558
                                       -0.47678583
     0.28431075    1   -18.65156321
#
Lr GTH-PBE-q43
    6   13   10   14
     0.21250000    2   170.63112790   -19.14775592
    4
     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
     0.50058902    2     1.64930176    -0.13507301
                                        0.15315840
     0.22891982    1    -0.78476961
#
################################################################################
#
# PBESOL functional
#
################################################################################
#
B GTH-PBESOL-q3
    2    1
     0.42188166    2    -5.99194495     0.94658199
    2
     0.37186069    1     6.29208376
     0.36287582    0
#
################################################################################
#
# OLYP functional
#
################################################################################
#
H GTH-OLYP-q1 GTH-OLYP
    1
     0.20000000    2    -4.16025705     0.71696182
    0
#
B GTH-OLYP-q3
    2    1
     0.40824397    2    -5.84551716     0.92100194
    2
     0.37035120    1     6.31003106
     0.35773831    0
#
C GTH-OLYP-q4
    2    2
     0.33266812    2    -8.65195820     1.32052627
    2
     0.30204607    1     9.62061855
     0.29182215    0
#
N GTH-OLYP-q5
    2    3
     0.28091145    2   -12.16718730     1.82099926
    2
     0.25510834    1    13.61560292
     0.24679335    0
#
O GTH-OLYP-q6 GTH-OLYP
    2    4
     0.24340006    2   -16.34721549     2.41772603
    2
     0.22079018    1    18.31443918
     0.22008988    0
#
F GTH-OLYP-q7
    2    5
     0.21382039    2   -21.28598900     3.12167577
    2
     0.19453412    1    23.73308173
     0.16302766    0
#
P GTH-OLYP-q5
    2    3
     0.43000000    1    -4.69763642
    2
     0.39666347    2    10.63544240    -3.29388139
                                        4.25238258
     0.44942590    1     2.88712442
#
S GTH-OLYP-q6
    2    4
     0.42000000    1    -5.70095751
    2
     0.36360282    2    13.23499116    -4.28266416
                                        5.52889566
     0.40854250    1     3.70359686
#
Cl GTH-OLYP-q7
    2    5
     0.41000000    1    -6.18936120
    2
     0.33820768    2    15.35745265    -4.99108675
                                        6.44346529
     0.37732312    1     4.35487695
#
################################################################################
#
# HF potential definitions in the GTH-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))
#  .       .               .
#  .       .               .
#  .       .               .
# r(nprj) nprj_ppnl(nprj) ((hprj_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
#
################################################################################
#
H GTH-HF-q1 GTH-HF
    1    0    0    0
    0.196680577426       2   -4.122010670148    0.685113494453
       0
#
C GTH-HF-q4 GTH-HF
    2    2    0    0
    0.315416975333       2   -8.867306339232    1.255277018021
       1
    0.301022709314       1    9.800185699152
#
N GTH-HF-q5 GTH-HF
    2    3    0    0
    0.293004428534       2  -12.353673551345    1.940376934223
       1
    0.255011990622       1   13.748056543074
#
O GTH-HF-q6 GTH-HF
    2    4    0    0
    0.246496621432       2  -17.087623980861    2.645053514530
       1
    0.220770923508       1   18.522680682057
#
################################################################################
#
# Non-linear core corrected pseudopotentials of Goedecker, Teter and Hutter (GTH)
# -----------------------------------------------------
#
# History:    - Creation (06/2013)
#
# Literature: - A. Willand, Y. O. Kvashnin, L. Genovese, A. Vazquez-Mayagoitia,
#               A. K. Deb, A. Sadeghi, T. Deutsch, and S. Goedecker,
#               J. Chem. Phys. 138, 104109 (2013)
#             - 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)
#
# 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)
# NLCC    n_nlcc
#         r_core  n_core c_core
# 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))
#  .       .               .
#  .       .               .
#  .       .               .
# r(nprj) nprj_ppnl(nprj) ((hprj_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
#
# Calculation of c_core from values given in A. Willand et al.
#
# c_core(CP2K) = c_core(Willand) * 4Pi * (Z-Zion)/(SQRT(2Pi)*r_core)^3
#
################################################################################
#
# PBE functional
#
################################################################################
#
Al GTH-NLCC-PBE-q3 GTH-NLCC-PBE
   2 1  
        0.35000000  2     -1.20404111     -2.14848844 
   NLCC    1
        0.487749457320947 1 26.6661157296629
   2                                                 
        0.46845918  2      2.69261923      0.00000000
                                           2.15425102
        0.54697362  1      2.13803860     
B GTH-NLCC-PBE-q3 GTH-NLCC-PBE
    2   1
        0.43249960  2     -4.26853158      0.59951279
    NLCC  1 
        0.333523099251602 1 18.6519880515354
   1                                      
        0.37147150  1      6.30164101      
C GTH-NLCC-PBE-q4 GTH-NLCC-PBE
    2  2
        0.31478662  2     -6.92377020      0.96359690
    NLCC  1 
        0.274399357915869 1 58.7058349842360
   2                                       
        0.30228391  1      9.57595383     
        0.36878252  1     -0.00996437    
Cl GTH-NLCC-PBE-q7 GTH-NLCC-PBE
    2  5
        0.32000000  1     -0.27448290
    NLCC  1
        0.42147846  1     31.2490172184
    2
        0.32659110  2      4.20335702      0.00000000
                                           4.55651710
        0.36756872  1      4.22907835
F GTH-NLCC-PBE-q7 GTH-NLCC-PBE
    2 5
        0.20610323  2    -19.86716500      2.79308907
    NLCC  1 
        0.171542709683482 1 193.635582221771
    1 
        0.19518097  1     23.47047311     
H GTH-NLCC-PBE-q1 GTH-NLCC-PBE
    1    
        0.20000000  2     -4.07311634      0.68070153 
   0                                                 
N GTH-NLCC-PBE-q5 GTH-NLCC-PBE
   2 3
        0.24179589  2    -10.04328500    1.39719020 
   NLCC  1 
        0.246115465086927 1 70.6868378070653
   2                                      
        0.25696561  1     12.96801666     
        0.15685548  1     -0.73452991    
O GTH-NLCC-PBE-q6 GTH-NLCC-PBE
   2 4
        0.26099935  2    -14.15180600      1.97829510 
   NLCC  1 
        0.252338420313492 1 44.0109866619909
   2                                       
        0.22308282  1     18.37181432     
        0.26844098  1      0.10003633    
P GTH-NLCC-PBE-q5 GTH-NLCC-PBE
   2  3
        0.34000000  2     -1.62258310     -0.72412131 
   NLCC  1 
        0.398676358021430 1 57.5022588665043
   2                                                 
        0.38208906  2      3.47753509     -0.01266608
                                           3.47461367
        0.43410975  1      3.37859278      
S GTH-NLCC-PBE-q6 GTH-NLCC-PBE
   2  4
        0.33000000  2      1.49042820     -0.73313881 
   NLCC  1 
        0.386218088400348 1 79.6359982164901
   2                                                 
        0.37045712  2      6.18604810      0.00000000
                                           2.57760787
        0.39772434  1      3.89113272   
Si GTH-NLCC-PBE-q4 GTH-NLCC-PBE
   2  2
        0.33000000  2     -0.07845999     -0.79378214 
   NLCC  1
        0.442792079831528 1 38.1776559763904
   2                                                 
        0.42179461  2      2.87392223      0.02558827
                                           2.59458148
        0.48800255  1      2.47962806
#
################################################################################
#
# All-electron (full nuclear potential) definitions in the GTH-format:
#
# Element symbol  Name of the potential  Alias names
# n_elec(s)  n_elec(p)  n_elec(d)  ...
# r_loc   0
#
# 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
#
################################################################################
#
H ALLELECTRON ALL
    1    0    0
     0.20000000    0
#
He ALLELECTRON ALL
    2    0    0
     0.20000000    0
#
Li ALLELECTRON ALL
    3    0    0
     0.40000000    0
#
Be ALLELECTRON ALL
    4    0    0
     0.32500000    0
#
B ALLELECTRON ALL
    4    1    0
     0.43392956    0
#
C ALLELECTRON ALL
    4    2    0
     0.34883045    0
#
N ALLELECTRON ALL
    4    3    0
     0.28917923    0
#
O ALLELECTRON ALL
    4    4    0
     0.24762086    0
#
F ALLELECTRON ALL
    4    5    0
     0.21852465    0
#
Ne ALLELECTRON ALL
    4    6    0
     0.19000000    0
#
Na ALLELECTRON ALL
    5    6    0
     0.24631780    0
#
Mg ALLELECTRON ALL
    6    6    0
     0.21094954    0
#
Al ALLELECTRON ALL
    6    7    0
     0.45000000    0
#
Si ALLELECTRON ALL
    6    8    0
     0.44000000    0
#
P ALLELECTRON ALL
    6    9    0
     0.43000000    0
#
S ALLELECTRON ALL
    6   10    0
     0.42000000    0
#
Cl ALLELECTRON ALL
    6   11    0
     0.41000000    0
#
Ar ALLELECTRON ALL
    6   12    0
     0.40000000    0
#
K ALLELECTRON ALL
    7   12    0
     0.40000000    0
#
Ca ALLELECTRON ALL
    8   12    0
     0.39000000    0
#
Sc ALLELECTRON ALL
    8   12    1
     0.38500000    0
#
Ti ALLELECTRON ALL
    8   12    2
     0.3800000    0
#
V  ALLELECTRON ALL
    8   12    3
     0.37500000    0
#
Cr ALLELECTRON ALL
    8   12    4
     0.37000000    0
#
Mn ALLELECTRON ALL
    8   12    5
     0.36500000    0
#
Fe  ALLELECTRON ALL
    8   12    6
     0.36000000    0
#
Co  ALLELECTRON ALL
    8   12    7
     0.35500000    0
#
Ni  ALLELECTRON ALL
    8   12    8
     0.35000000    0
#
Cu ALLELECTRON ALL
    8   12    9
     0.53000000    0
#
Zn ALLELECTRON ALL
    8   12   10
     0.34000000    0
#
Ga ALLELECTRON ALL
    8   13   10
     0.49000000    0
#
Ge ALLELECTRON ALL
    8   14   10
     0.54000000    0
#
As ALLELECTRON ALL
    8   15   10
     0.52000000    0
#
Se ALLELECTRON ALL
    8   16   10
     0.51000000    0
#
Br ALLELECTRON ALL
    8   17   10
     0.50000000    0
#
Kr ALLELECTRON ALL
    8   18   10
     0.50000000    0
#
I  ALLELECTRON ALL
   10   23   20
     0.50000000    0
#
