32_Ge_14_2.2_2.3_pbe_n_v1.0.psp8

Ge    ONCVPSP-4.0.1  r_core=   2.32488   2.18988   2.32488
     32.0000     14.0000      210716    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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   587  5.8600000000000E+00  1.8258225371665E-03  1.8258768124953E-03  1.1437187444236E-13
   588  5.8700000000000E+00  1.8015832028287E-03  1.8016367540408E-03  1.0755701984141E-13
   589  5.8800000000000E+00  1.7776741278317E-03  1.7777269649853E-03  1.0114873266784E-13
   590  5.8900000000000E+00  1.7540906461533E-03  1.7541427791598E-03  9.5122725448390E-14
   591  5.9000000000000E+00  1.7308281607966E-03  1.7308795994231E-03  8.9456164638705E-14
   592  5.9100000000000E+00  1.7078821427164E-03  1.7079328965876E-03  8.4127581694509E-14
   593  5.9200000000000E+00  1.6852481297626E-03  1.6852982083632E-03  7.9116791177875E-14
   594  5.9300000000000E+00  1.6629217256424E-03  1.6629711383194E-03  7.4404816391542E-14
   595  5.9400000000000E+00  1.6408985988974E-03  1.6409473548618E-03  6.9973814904663E-14
   596  5.9500000000000E+00  1.6191744818981E-03  1.6192225902273E-03  6.5807010612629E-14
   597  5.9600000000000E+00  1.5977451698551E-03  1.5977926394949E-03  6.1888630384150E-14
   598  5.9700000000000E+00  1.5766065198459E-03  1.5766533596126E-03  5.8203844938831E-14
   599  5.9800000000000E+00  1.5557544498577E-03  1.5558006684398E-03  5.4738710855782E-14
   600  5.9900000000000E+00  1.5351849378450E-03  1.5352305438054E-03  5.1480117550166E-14
<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
  Ge 32.00    5    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    2.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.31500  -0.43112    4    7   3.62547
    1   2.18440  -0.14315    4    7   6.39783
    2   2.31500  -1.07715    4    7   6.95957
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.29017      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   3.00000
    1    2   2.50000
    2    2   1.50000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   5.00000   1.40000
#
# 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):  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>