19_K_9_2.2_2.7_pbe_n_v1.0.psp8

K     ONCVPSP-4.0.1  r_core=   2.20490   2.67009   2.67009
     19.0000      9.0000      210704    zatom,zion,pspd
     8      11   2     4   400     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  3.99000000  5.00000000  0.00000000    rchrg fchrg qchrg
     2     2     2     0     0    nproj
     1     1           extension_switch
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   389  3.8800000000000E+00  1.7919980462703E-02  1.7920743020319E-02  1.0632081804422E-13
   390  3.8900000000000E+00  1.7782553902347E-02  1.7783304681236E-02  9.6632636884560E-14
   391  3.9000000000000E+00  1.7647040124743E-02  1.7647779359533E-02  8.7828536114314E-14
   392  3.9100000000000E+00  1.7513388180547E-02  1.7514116100244E-02  7.9827718839693E-14
   393  3.9200000000000E+00  1.7381548648841E-02  1.7382265476971E-02  7.2556782646282E-14
   394  3.9300000000000E+00  1.7251473594143E-02  1.7252179548896E-02  6.5949043090949E-14
   395  3.9400000000000E+00  1.7123116524487E-02  1.7123811818858E-02  5.9943919013603E-14
   396  3.9500000000000E+00  1.6996432350546E-02  1.6997117192463E-02  5.4486369784450E-14
   397  3.9600000000000E+00  1.6871377345785E-02  1.6872051938247E-02  4.9526392316701E-14
   398  3.9700000000000E+00  1.6747909107609E-02  1.6748573648809E-02  4.5018554650084E-14
   399  3.9800000000000E+00  1.6625986519493E-02  1.6626641202944E-02  4.0921580899375E-14
   400  3.9900000000000E+00  1.6505569714069E-02  1.6506214728725E-02  3.7197968568769E-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
  K 19.00    3    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
    4    0    1.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.20282  -1.29884    4    8   5.59502
    1   2.67000  -0.69139    4    8   5.16219
    2   2.67000   0.05000    4    8   6.18500
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.88421      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   1.21361
    1    2   0.80000
    2    2   0.50000
#
# 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
    4.00    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):  11 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  13 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.46 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.42 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>