23_V_13_1.6_1.9_pbe_n_v1.0.psp8

V     ONCVPSP-4.0.1  r_core=   1.65519   1.91073   1.91073
     23.0000     13.0000      220805    zatom,zion,pspd
     8      11   2     4   600     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  5.99000000  5.00000000  0.00000000    rchrg fchrg qchrg
     2     2     2     0     0    nproj
     1     1           extension_switch
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   191  1.9000000000000E+00  4.8373811246564E-04 -1.5118801880123E-03
   192  1.9100000000000E+00  1.1150633042877E-05 -3.4682227086434E-05
   193  1.9200000000000E+00 -1.0992653569694E-05  3.4187976871663E-05
   194  1.9300000000000E+00  6.3575552529838E-06 -1.9813093143872E-05
   195  1.9400 -0.  0.
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   4
     1  0.0000000000000E+00 -1.8156327500133E+01
     2  1.0000000000000E-02 -1.8155835202260E+01
     3  2.0000000000000E-02 -1.8154357650045E+01
     4  3.0000000000000E-02 -1.8151905899907E+01
     5  4.0000000000000E-02 -1.8148495741631E+01
     6  5.0000000000000E-02 -1.8144148370332E+01
     7  6.0000000000000E-02 -1.8138889540995E+01
     8  7.0000000000000E-02 -1.8132748565703E+01
     9  8.0000000000000E-02 -1.8125757206925E+01
    10  9.0000000000000E-02 -1.8117948522022E+01
    11  1.0000000000000E-01 -1.8109355711810E+01
    12  1.1000000000000E-01 -1.8100011020540E+01
    13  1.2000000000000E-01 -1.8089944726370E+01
    14  1.3000000000000E-01 -1.8079184252080E+01
    15  1.4000000000000E-01 -1.8067753415149E+01
    16  1.5000000000000E-01 -1.8055671826745E+01
    17  1.6000000000000E-01 -1.8042954440236E+01
    18  1.7000000000000E-01 -1.8029611242320E+01
    19  1.8000000000000E-01 -1.8015647074417E+01
    20  1.9000000000000E-01 -1.8001061568121E+01
    21  2.0000000000000E-01 -1.7985849176240E+01
    22  2.1000000000000E-01 -1.7969999280494E+01
    23  2.2000000000000E-01 -1.7953496357383E+01
    24  2.3000000000000E-01 -1.7936320185217E+01
    25  2.4000000000000E-01 -1.7918446077494E+01
    26  2.5000000000000E-01 -1.7899845130182E+01
    27  2.6000000000000E-01 -1.7880484473160E+01
    28  2.7000000000000E-01 -1.7860327518607E+01
    29  2.8000000000000E-01 -1.7839334201495E+01
    30  2.9000000000000E-01 -1.7817461209594E+01
    31  3.0000000000000E-01 -1.7794662201873E+01
    32  3.1000000000000E-01 -1.7770888015658E+01
    33  3.2000000000000E-01 -1.7746086863728E+01
    34  3.3000000000000E-01 -1.7720204522723E+01
    35  3.4000000000000E-01 -1.7693184514362E+01
    36  3.5000000000000E-01 -1.7664968280439E+01
    37  3.6000000000000E-01 -1.7635495352198E+01
    38  3.7000000000000E-01 -1.7604703513871E+01
    39  3.8000000000000E-01 -1.7572528960348E+01
    40  3.9000000000000E-01 -1.7538906449323E+01
    41  4.0000000000000E-01 -1.7503769450141E+01
    42  4.1000000000000E-01 -1.7467050294782E+01
    43  4.2000000000000E-01 -1.7428680341564E+01
    44  4.3000000000000E-01 -1.7388590169381E+01
    45  4.4000000000000E-01 -1.7346709828949E+01
    46  4.5000000000000E-01 -1.7302969187191E+01
    47  4.6000000000000E-01 -1.7257298410246E+01
    48  4.7000000000000E-01 -1.7209628637061E+01
    49  4.8000000000000E-01 -1.7159892897302E+01
    50  4.9000000000000E-01 -1.7108027320363E+01
    51  5.0000000000000E-01 -1.7053972665090E+01
    52  5.1000000000000E-01 -1.6997676169191E+01
    53  5.2000000000000E-01 -1.6939093674497E+01
    54  5.3000000000000E-01 -1.6878191930949E+01
    55  5.4000000000000E-01 -1.6814950925060E+01
    56  5.5000000000000E-01 -1.6749366027143E+01
    57  5.6000000000000E-01 -1.6681449717514E+01
    58  5.7000000000000E-01 -1.6611232647434E+01
    59  5.8000000000000E-01 -1.6538763825156E+01
    60  5.9000000000000E-01 -1.6464109793489E+01
    61  6.0000000000000E-01 -1.6387352776526E+01
    62  6.1000000000000E-01 -1.6308587903131E+01
    63  6.2000000000000E-01 -1.6227919739869E+01
    64  6.3000000000000E-01 -1.6145458460822E+01
    65  6.4000000000000E-01 -1.6061316025696E+01
    66  6.5000000000000E-01 -1.5975602721786E+01
    67  6.6000000000000E-01 -1.5888424354601E+01
    68  6.7000000000000E-01 -1.5799880263728E+01
    69  6.8000000000000E-01 -1.5710062219466E+01
    70  6.9000000000000E-01 -1.5619054144708E+01
    71  7.0000000000000E-01 -1.5526932525658E+01
    72  7.1000000000000E-01 -1.5433767328911E+01
    73  7.2000000000000E-01 -1.5339623232435E+01
    74  7.3000000000000E-01 -1.5244560994338E+01
    75  7.4000000000000E-01 -1.5148638815631E+01
    76  7.5000000000000E-01 -1.5051913591380E+01
    77  7.6000000000000E-01 -1.4954441980754E+01
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   520  5.1900000000000E+00  6.9572598023101E-03  6.9572327908594E-03  0.0000000000000E+00
   521  5.2000000000000E+00  6.8675982367807E-03  6.8675708685491E-03  0.0000000000000E+00
   522  5.2100000000000E+00  6.7790787931166E-03  6.7790510840700E-03  0.0000000000000E+00
   523  5.2200000000000E+00  6.6916872746452E-03  6.6916592403523E-03  0.0000000000000E+00
   524  5.2300000000000E+00  6.6054096507411E-03  6.6053813063818E-03  0.0000000000000E+00
   525  5.2400000000000E+00  6.5202320551763E-03  6.5202034155501E-03  0.0000000000000E+00
   526  5.2500000000000E+00  6.4361407844796E-03  6.4361118640139E-03  0.0000000000000E+00
   527  5.2600000000000E+00  6.3531222963058E-03  6.3530931090638E-03  0.0000000000000E+00
   528  5.2700000000000E+00  6.2711632078127E-03  6.2711337675011E-03  0.0000000000000E+00
   529  5.2800000000000E+00  6.1902502940490E-03  6.1902206140259E-03  0.0000000000000E+00
   530  5.2900000000000E+00  6.1103704863510E-03  6.1103405796331E-03  0.0000000000000E+00
   531  5.3000000000000E+00  6.0315108707481E-03  6.0314807500187E-03  0.0000000000000E+00
   532  5.3100000000000E+00  5.9536586863799E-03  5.9536283639954E-03  0.0000000000000E+00
   533  5.3200000000000E+00  5.8768013239215E-03  5.8767708119188E-03  0.0000000000000E+00
   534  5.3300000000000E+00  5.8009263240190E-03  5.8008956341225E-03  0.0000000000000E+00
   535  5.3400000000000E+00  5.7260213757356E-03  5.7259905193640E-03  0.0000000000000E+00
   536  5.3500000000000E+00  5.6520743150072E-03  5.6520433032798E-03  0.0000000000000E+00
   537  5.3600000000000E+00  5.5790731231081E-03  5.5790419668519E-03  0.0000000000000E+00
   538  5.3700000000000E+00  5.5070059251275E-03  5.5069746348830E-03  0.0000000000000E+00
   539  5.3800000000000E+00  5.4358609884555E-03  5.4358295744835E-03  0.0000000000000E+00
   540  5.3900000000000E+00  5.3656267212803E-03  5.3655951935676E-03  0.0000000000000E+00
   541  5.4000000000000E+00  5.2962916710953E-03  5.2962600393608E-03  0.0000000000000E+00
   542  5.4100000000000E+00  5.2278445232166E-03  5.2278127969173E-03  0.0000000000000E+00
   543  5.4200000000000E+00  5.1602740993117E-03  5.1602422876485E-03  0.0000000000000E+00
   544  5.4300000000000E+00  5.0935693559382E-03  5.0935374678614E-03  0.0000000000000E+00
   545  5.4400000000000E+00  5.0277193830935E-03  5.0276874273084E-03  0.0000000000000E+00
   546  5.4500000000000E+00  4.9627134027751E-03  4.9626813877473E-03  0.0000000000000E+00
   547  5.4600000000000E+00  4.8985407675516E-03  4.8985087015124E-03  0.0000000000000E+00
   548  5.4700000000000E+00  4.8351909591447E-03  4.8351588500964E-03  0.0000000000000E+00
   549  5.4800000000000E+00  4.7726535870217E-03  4.7726214427426E-03  0.0000000000000E+00
   550  5.4900000000000E+00  4.7109183869997E-03  4.7108862150490E-03  0.0000000000000E+00
   551  5.5000000000000E+00  4.6499752198593E-03  4.6499430275822E-03  0.0000000000000E+00
   552  5.5100000000000E+00  4.5898140699707E-03  4.5897818645029E-03  0.0000000000000E+00
   553  5.5200000000000E+00  4.5304250439300E-03  4.5303928322025E-03  0.0000000000000E+00
   554  5.5300000000000E+00  4.4717983692063E-03  4.4717661579501E-03  0.0000000000000E+00
   555  5.5400000000000E+00  4.4139243928003E-03  4.4138921885508E-03  0.0000000000000E+00
   556  5.5500000000000E+00  4.3567935799139E-03  4.3567613890153E-03  0.0000000000000E+00
   557  5.5600000000000E+00  4.3003965126303E-03  4.3003643412399E-03  0.0000000000000E+00
   558  5.5700000000000E+00  4.2447238886057E-03  4.2446917426982E-03  0.0000000000000E+00
   559  5.5800000000000E+00  4.1897665197718E-03  4.1897344051433E-03  0.0000000000000E+00
   560  5.5900000000000E+00  4.1355153310492E-03  4.1354832533214E-03  0.0000000000000E+00
   561  5.6000000000000E+00  4.0819613590724E-03  4.0819293236964E-03  0.0000000000000E+00
   562  5.6100000000000E+00  4.0290957509248E-03  4.0290637631851E-03  0.0000000000000E+00
   563  5.6200000000000E+00  3.9769097628862E-03  3.9768778279045E-03  0.0000000000000E+00
   564  5.6300000000000E+00  3.9253947591897E-03  3.9253628819286E-03  0.0000000000000E+00
   565  5.6400000000000E+00  3.8745422107910E-03  3.8745103960576E-03  0.0000000000000E+00
   566  5.6500000000000E+00  3.8243436941480E-03  3.8243119465976E-03  0.0000000000000E+00
   567  5.6600000000000E+00  3.7747908900115E-03  3.7747592141508E-03  0.0000000000000E+00
   568  5.6700000000000E+00  3.7258755822267E-03  3.7258439824175E-03  0.0000000000000E+00
   569  5.6800000000000E+00  3.6775896565461E-03  3.6775581370088E-03  0.0000000000000E+00
   570  5.6900000000000E+00  3.6299250994533E-03  3.6298936642697E-03  0.0000000000000E+00
   571  5.7000000000000E+00  3.5828739969967E-03  3.5828426501136E-03  0.0000000000000E+00
   572  5.7100000000000E+00  3.5364285336358E-03  3.5363972788679E-03  0.0000000000000E+00
   573  5.7200000000000E+00  3.4905809910967E-03  3.4905498321300E-03  0.0000000000000E+00
   574  5.7300000000000E+00  3.4453237472395E-03  3.4452926876338E-03  0.0000000000000E+00
   575  5.7400000000000E+00  3.4006492749360E-03  3.4006183181284E-03  0.0000000000000E+00
   576  5.7500000000000E+00  3.3565501409581E-03  3.3565192902657E-03  0.0000000000000E+00
   577  5.7600000000000E+00  3.3130190048775E-03  3.3129882634999E-03  0.0000000000000E+00
   578  5.7700000000000E+00  3.2700486179751E-03  3.2700179889977E-03  0.0000000000000E+00
   579  5.7800000000000E+00  3.2276318221620E-03  3.2276013085584E-03  0.0000000000000E+00
   580  5.7900000000000E+00  3.1857615489107E-03  3.1857311535452E-03  0.0000000000000E+00
   581  5.8000000000000E+00  3.1444308181962E-03  3.1444005438270E-03  0.0000000000000E+00
   582  5.8100000000000E+00  3.1036327374490E-03  3.1036025867301E-03  0.0000000000000E+00
   583  5.8200000000000E+00  3.0633605005174E-03  3.0633304760013E-03  0.0000000000000E+00
   584  5.8300000000000E+00  3.0236073866406E-03  3.0235774907810E-03  0.0000000000000E+00
   585  5.8400000000000E+00  2.9843667594322E-03  2.9843369945860E-03  0.0000000000000E+00
   586  5.8500000000000E+00  2.9456320658739E-03  2.9456024343038E-03  0.0000000000000E+00
   587  5.8600000000000E+00  2.9073968353197E-03  2.9073673391962E-03  0.0000000000000E+00
   588  5.8700000000000E+00  2.8696546785098E-03  2.8696253199139E-03  0.0000000000000E+00
   589  5.8800000000000E+00  2.8323992865952E-03  2.8323700675201E-03  0.0000000000000E+00
   590  5.8900000000000E+00  2.7956244301722E-03  2.7955953525256E-03  0.0000000000000E+00
   591  5.9000000000000E+00  2.7593239583266E-03  2.7592950239331E-03  0.0000000000000E+00
   592  5.9100000000000E+00  2.7234917976886E-03  2.7234630082913E-03  0.0000000000000E+00
   593  5.9200000000000E+00  2.6881219514967E-03  2.6880933087595E-03  0.0000000000000E+00
   594  5.9300000000000E+00  2.6532084986723E-03  2.6531800041817E-03  0.0000000000000E+00
   595  5.9400000000000E+00  2.6187455929038E-03  2.6187172481710E-03  0.0000000000000E+00
   596  5.9500000000000E+00  2.5847274617399E-03  2.5846992682024E-03  0.0000000000000E+00
   597  5.9600000000000E+00  2.5511484056936E-03  2.5511203647176E-03  0.0000000000000E+00
   598  5.9700000000000E+00  2.5180027973552E-03  2.5179749102365E-03  0.0000000000000E+00
   599  5.9800000000000E+00  2.4852850805144E-03  2.4852573484810E-03  0.0000000000000E+00
   600  5.9900000000000E+00  2.4529897692929E-03  2.4529621935065E-03  0.0000000000000E+00
<INPUT>
#
#ONCVPSP  (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
#scalar-relativistic version 4.0.1 06/04/2019
#
#While it is not required under the terms of the GNU GPL, it is
#suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013)
#in any publication utilizing these pseudopotentials.
#
# ATOM AND REFERENCE CONFIGURATION
# atsym  z   nc   nv     iexc    psfile
  V 23.00    3    4       4      psp8
#
#   n    l    f
    1    0    2.00
    2    0    2.00
    2    1    6.00
    3    0    2.00
    3    1    6.00
    3    2    3.00
    4    0    2.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   1.65000  -2.58111    4    7   8.50000
    1   1.90000  -1.61849    4    8   7.14102
    2   1.90000  -0.18980    4    8   8.25439
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.47294      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   2.40830
    1    2   1.56543
    2    2   1.50000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   5.00000   1.30000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
  -12.00   12.00    0.02
#
# OUTPUT GRID
# rlmax, drl
    6.0000    0.0100
#
# TEST CONFIGURATIONS
# ncnf
    0
# nvcnf
#   n    l    f
</INPUT>

<INFO>
# *********************************************************************************************** #
# Copyright (c) 2022 Material Physics & Mechanics Group, Georgia Tech                             #
# Distributed under GNU General Public License 3 (GPL) (https://www.gnu.org/licenses/)            #
# Mostafa Faghih Shojaei, John E. Pask, Andrew J. Medford, and Phanish Suryanarayana.             #
# "Soft and transferable pseudopotentials from multi-objective optimization."                     #
# Computer Physics Communications 283 (2023): 108594. (https://doi.org/10.1016/j.cpc.2022.108594) #
# Acknowledgment: U.S. Department of Energy (DOE), Office of Science (SC): DE-SC0019410           #
# *********************************************************************************************** #
# Ecut (1e-3 Ha/atom accuracy):  27 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  31 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.29 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.27 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>