52_Te_16_2.3_2.3_pbe_n_v1.0.psp8

Te    ONCVPSP-4.0.1  r_core=   2.30879   2.26773   2.30879
     52.0000     16.0000      220731    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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   543  5.4200000000000E+00  3.4505481975559E-03  3.4507005403328E-03  7.1500852902513E-12
   544  5.4300000000000E+00  3.3958171478367E-03  3.3959671560379E-03  6.7246120697367E-12
   545  5.4400000000000E+00  3.3419659574353E-03  3.3421136676907E-03  6.3244927355734E-12
   546  5.4500000000000E+00  3.2889802113663E-03  3.2891256597124E-03  5.9482142235491E-12
   547  5.4600000000000E+00  3.2368457365657E-03  3.2369889584556E-03  5.5943538865267E-12
   548  5.4700000000000E+00  3.1855485977302E-03  3.1856896280436E-03  5.2615740718013E-12
   549  5.4800000000000E+00  3.1350750932305E-03  3.1352139662829E-03  4.9486170995214E-12
   550  5.4900000000000E+00  3.0854117510933E-03  3.0855485006461E-03  4.6543004505326E-12
   551  5.5000000000000E+00  3.0365453250542E-03  3.0366799843236E-03  4.3775122303291E-12
   552  5.5100000000000E+00  2.9884627906803E-03  2.9885953923469E-03  4.1172069725183E-12
   553  5.5200000000000E+00  2.9411513415606E-03  2.9412819177778E-03  3.8724016958753E-12
   554  5.5300000000000E+00  2.8945983855610E-03  2.8947269679644E-03  3.6421721084707E-12
   555  5.5400000000000E+00  2.8487915411457E-03  2.8489181608614E-03  3.4256490966715E-12
   556  5.5500000000000E+00  2.8037186337650E-03  2.8038433214184E-03  3.2220154981654E-12
   557  5.5600000000000E+00  2.7593676923022E-03  2.7594904780265E-03  3.0305029204835E-12
   558  5.5700000000000E+00  2.7157269455849E-03  2.7158478590289E-03  2.8503888287665E-12
   559  5.5800000000000E+00  2.6727848189582E-03  2.6729038892946E-03  2.6809938503501E-12
   560  5.5900000000000E+00  2.6305299309154E-03  2.6306471868488E-03  2.5216791641479E-12
   561  5.6000000000000E+00  2.5889510897883E-03  2.5890665595632E-03  2.3718440618968E-12
   562  5.6100000000000E+00  2.5480372904965E-03  2.5481510019046E-03  2.2309236896171E-12
   563  5.6200000000000E+00  2.5077777113531E-03  2.5078896917410E-03  2.0983869185182E-12
   564  5.6300000000000E+00  2.4681617109246E-03  2.4682719872013E-03  1.9737342980310E-12
   565  5.6400000000000E+00  2.4291788249470E-03  2.4292874235910E-03  1.8564961613107E-12
   566  5.6500000000000E+00  2.3908187632973E-03  2.3909257103640E-03  1.7462308913873E-12
   567  5.6600000000000E+00  2.3530714070148E-03  2.3531767281432E-03  1.6425231996548E-12
   568  5.6700000000000E+00  2.3159268053758E-03  2.3160305257957E-03  1.5449825565954E-12
   569  5.6800000000000E+00  2.2793751730210E-03  2.2794773175596E-03  1.4532417372848E-12
   570  5.6900000000000E+00  2.2434068871308E-03  2.2435074802196E-03  1.3669554174438E-12
   571  5.7000000000000E+00  2.2080124846508E-03  2.2081115503318E-03  1.2857988543963E-12
   572  5.7100000000000E+00  2.1731826595658E-03  2.1732802214981E-03  1.2094666645582E-12
   573  5.7200000000000E+00  2.1389082602227E-03  2.1390043416890E-03  1.1376716851805E-12
   574  5.7300000000000E+00  2.1051802866976E-03  2.1052749106101E-03  1.0701438625131E-12
   575  5.7400000000000E+00  2.0719898882100E-03  2.0720830771168E-03  1.0066292303346E-12
   576  5.7500000000000E+00  2.0393283605842E-03  2.0394201366752E-03  9.4688897353697E-13
   577  5.7600000000000E+00  2.0071871437521E-03  2.0072775288648E-03  8.9069850463398E-13
   578  5.7700000000000E+00  1.9755578193004E-03  1.9756468349257E-03  8.3784661267376E-13
   579  5.7800000000000E+00  1.9444321080614E-03  1.9445197753496E-03  7.8813467282364E-13
   580  5.7900000000000E+00  1.9138018677467E-03  1.9138882075126E-03  7.4137590090838E-13
   581  5.8000000000000E+00  1.8836590906189E-03  1.8837441233477E-03  6.9739463415496E-13
   582  5.8100000000000E+00  1.8539959012066E-03  1.8540796470592E-03  6.5602566646045E-13
   583  5.8200000000000E+00  1.8248045540603E-03  1.8248870328786E-03  6.1711364393010E-13
   584  5.8300000000000E+00  1.7960774315438E-03  1.7961586628559E-03  5.8051245962915E-13
   585  5.8400000000000E+00  1.7678070416669E-03  1.7678870446922E-03  5.4608470312000E-13
   586  5.8500000000000E+00  1.7399860159549E-03  1.7400648096093E-03  5.1370114814684E-13
   587  5.8600000000000E+00  1.7126071073566E-03  1.7126847102572E-03  4.8324026643583E-13
   588  5.8700000000000E+00  1.6856631881859E-03  1.6857396186563E-03  4.5458776098682E-13
   589  5.8800000000000E+00  1.6591472481015E-03  1.6592225241761E-03  4.2763613377934E-13
   590  5.8900000000000E+00  1.6330523921225E-03  1.6331265315517E-03  4.0228429435566E-13
   591  5.9000000000000E+00  1.6073718386762E-03  1.6074448589304E-03  3.7843716499371E-13
   592  5.9100000000000E+00  1.5820989176806E-03  1.5821708359554E-03  3.5600532351320E-13
   593  5.9200000000000E+00  1.5572270686615E-03  1.5572979018819E-03  3.3490467019272E-13
   594  5.9300000000000E+00  1.5327498389020E-03  1.5328196037267E-03  3.1505611245969E-13
   595  5.9400000000000E+00  1.5086608816224E-03  1.5087295944483E-03  2.9638526078419E-13
   596  5.9500000000000E+00  1.4849539541933E-03  1.4850216311597E-03  2.7882214785669E-13
   597  5.9600000000000E+00  1.4616229163810E-03  1.4616895733737E-03  2.6230097410928E-13
   598  5.9700000000000E+00  1.4386617286204E-03  1.4387273812757E-03  2.4675985170627E-13
   599  5.9800000000000E+00  1.4160644503192E-03  1.4161291140285E-03  2.3214057180098E-13
   600  5.9900000000000E+00  1.3938252381928E-03  1.3938889281058E-03  2.1838838716012E-13
<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
  Te 52.00    8    3       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   10.00
    5    0    2.00
    5    1    4.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.29731  -0.55523    4    7   3.44944
    1   2.26223  -0.21878    4    8   4.41076
    2   2.29992  -1.53072    4    7   7.16168
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.60000      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   3.00000
    1    2   3.50000
    2    2   1.60000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   5.00000   1.43000
#
# 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):  22 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  25 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.33 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.31 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>