43_Tc_15_2.4_2.8_pbe_n_v1.0.psp8

Tc    ONCVPSP-4.0.1  r_core=   2.44773   2.75882   2.82563
     43.0000     15.0000      210704    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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   551  5.5000000000000E+00  4.4482678957954E-03  4.4483982289947E-03 -2.9648078128078E-26
   552  5.5100000000000E+00  4.3871244538307E-03  4.3872528318250E-03 -2.8454712528887E-26
   553  5.5200000000000E+00  4.3268236767764E-03  4.3269501304349E-03 -5.5111820602683E-27
   554  5.5300000000000E+00  4.2673538944711E-03  4.2674784541459E-03  0.0000000000000E+00
   555  5.5400000000000E+00  4.2087035987909E-03  4.2088262943260E-03  0.0000000000000E+00
   556  5.5500000000000E+00  4.1508614414261E-03  4.1509823021662E-03  0.0000000000000E+00
   557  5.5600000000000E+00  4.0938162316862E-03  4.0939352864862E-03  0.0000000000000E+00
   558  5.5700000000000E+00  4.0375569343355E-03  4.0376742115686E-03  0.0000000000000E+00
   559  5.5800000000000E+00  3.9820726674552E-03  3.9821881950221E-03  0.0000000000000E+00
   560  5.5900000000000E+00  3.9273527003350E-03  3.9274665056717E-03  0.0000000000000E+00
   561  5.6000000000000E+00  3.8733864513913E-03  3.8734985614777E-03  0.0000000000000E+00
   562  5.6100000000000E+00  3.8201634861142E-03  3.8202739274821E-03  0.0000000000000E+00
   563  5.6200000000000E+00  3.7676735150399E-03  3.7677823137809E-03  0.0000000000000E+00
   564  5.6300000000000E+00  3.7159063917515E-03  3.7160135735249E-03  0.0000000000000E+00
   565  5.6400000000000E+00  3.6648521109052E-03  3.6649577009454E-03  0.0000000000000E+00
   566  5.6500000000000E+00  3.6145008062831E-03  3.6146048294073E-03  0.0000000000000E+00
   567  5.6600000000000E+00  3.5648427488716E-03  3.5649452294871E-03  0.0000000000000E+00
   568  5.6700000000000E+00  3.5158683449654E-03  3.5159693070768E-03  0.0000000000000E+00
   569  5.6800000000000E+00  3.4675681342970E-03  3.4676676015134E-03  0.0000000000000E+00
   570  5.6900000000000E+00  3.4199327881907E-03  3.4200307837323E-03  0.0000000000000E+00
   571  5.7000000000000E+00  3.3729531077412E-03  3.3730496544464E-03  0.0000000000000E+00
   572  5.7100000000000E+00  3.3266200220170E-03  3.3267151423491E-03  0.0000000000000E+00
   573  5.7200000000000E+00  3.2809245862873E-03  3.2810183023412E-03  0.0000000000000E+00
   574  5.7300000000000E+00  3.2358579802730E-03  3.2359503137810E-03  0.0000000000000E+00
   575  5.7400000000000E+00  3.1914115064208E-03  3.1915024787597E-03  0.0000000000000E+00
   576  5.7500000000000E+00  3.1475765882008E-03  3.1476662203976E-03  0.0000000000000E+00
   577  5.7600000000000E+00  3.1043447684267E-03  3.1044330811650E-03  0.0000000000000E+00
   578  5.7700000000000E+00  3.0617077075987E-03  3.0617947212243E-03  0.0000000000000E+00
   579  5.7800000000000E+00  3.0196571822689E-03  3.0197429167962E-03  0.0000000000000E+00
   580  5.7900000000000E+00  2.9781850834286E-03  2.9782695585457E-03  0.0000000000000E+00
   581  5.8000000000000E+00  2.9372834149166E-03  2.9373666499917E-03  0.0000000000000E+00
   582  5.8100000000000E+00  2.8969442918510E-03  2.8970263059372E-03  0.0000000000000E+00
   583  5.8200000000000E+00  2.8571599390801E-03  2.8572407509213E-03  0.0000000000000E+00
   584  5.8300000000000E+00  2.8179226896552E-03  2.8180023176914E-03  0.0000000000000E+00
   585  5.8400000000000E+00  2.7792249833244E-03  2.7793034456968E-03  0.0000000000000E+00
   586  5.8500000000000E+00  2.7410593650463E-03  2.7411366796026E-03  0.0000000000000E+00
   587  5.8600000000000E+00  2.7034184835245E-03  2.7034946678238E-03  0.0000000000000E+00
   588  5.8700000000000E+00  2.6662950897607E-03  2.6663701610787E-03  0.0000000000000E+00
   589  5.8800000000000E+00  2.6296820356299E-03  2.6297560109634E-03  0.0000000000000E+00
   590  5.8900000000000E+00  2.5935722724725E-03  2.5936451685444E-03  0.0000000000000E+00
   591  5.9000000000000E+00  2.5579588497070E-03  2.5580306829712E-03  0.0000000000000E+00
   592  5.9100000000000E+00  2.5228349134616E-03  2.5229057001071E-03  0.0000000000000E+00
   593  5.9200000000000E+00  2.4881937052243E-03  2.4882634611802E-03  0.0000000000000E+00
   594  5.9300000000000E+00  2.4540285605112E-03  2.4540973014510E-03  0.0000000000000E+00
   595  5.9400000000000E+00  2.4203329075535E-03  2.4204006488992E-03  0.0000000000000E+00
   596  5.9500000000000E+00  2.3871002660024E-03  2.3871670229293E-03  0.0000000000000E+00
   597  5.9600000000000E+00  2.3543242456520E-03  2.3543900330924E-03  0.0000000000000E+00
   598  5.9700000000000E+00  2.3219985451789E-03  2.3220633778264E-03  0.0000000000000E+00
   599  5.9800000000000E+00  2.2901169509002E-03  2.2901808432137E-03  0.0000000000000E+00
   600  5.9900000000000E+00  2.2586733355479E-03  2.2587363017561E-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
  Tc 43.00    6    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   10.00
    4    0    2.00
    4    1    6.00
    4    2    5.00
    5    0    2.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.43700  -2.69665    4    8   6.18878
    1   2.74455  -1.66632    4    9   5.31445
    2   2.81776  -0.24483    4    8   5.50535
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.96900      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   2.51131
    1    2   2.00000
    2    2   1.50000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   5.00000   1.28000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
  -12.00   12.00    0.02
#
# OUTPUT GRID
# rlmax, drl
    6.00    0.01
#
# 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):  12 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  14 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.44 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.41 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>