35_Br_7_2.1_2.2_pbe_n_v1.0.psp8

Br    ONCVPSP-4.0.1  r_core=   2.10032   2.10032   2.20328
     35.0000      7.0000      220723    zatom,zion,pspd
     8      11   2     4   600     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  5.99000000  8.00000000  0.00000000    rchrg fchrg qchrg
     2     2     2     0     0    nproj
     1     1           extension_switch
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   549  5.4800000000000E+00  1.0653294517465E-03  1.0653946306782E-03  3.1934438954279E-10
   550  5.4900000000000E+00  1.0459386448672E-03  1.0460027053981E-03  3.0431432459735E-10
   551  5.5000000000000E+00  1.0269041182450E-03  1.0269670798698E-03  2.8999361061198E-10
   552  5.5100000000000E+00  1.0082192472236E-03  1.0082811290901E-03  2.7634866927675E-10
   553  5.5200000000000E+00  9.8987753235616E-04  9.8993835327129E-04  2.6334751730554E-10
   554  5.5300000000000E+00  9.7187259698186E-04  9.7193237541828E-04  2.5095968996573E-10
   555  5.5400000000000E+00  9.5419818485239E-04  9.5425693895449E-04  2.3915616853506E-10
   556  5.5500000000000E+00  9.3684815780660E-04  9.3690590539645E-04  2.2790931175862E-10
   557  5.5600000000000E+00  9.1981649349093E-04  9.1987325207422E-04  2.1719279034312E-10
   558  5.5700000000000E+00  9.0309728312400E-04  9.0315306989575E-04  2.0698152406624E-10
   559  5.5800000000000E+00  8.8668472930673E-04  8.8673956115701E-04  1.9725162236266E-10
   560  5.5900000000000E+00  8.7057314387769E-04  8.7062703739715E-04  1.8798032825087E-10
   561  5.6000000000000E+00  8.5475694580748E-04  8.5480991729279E-04  1.7914596376680E-10
   562  5.6100000000000E+00  8.3923065913679E-04  8.3928272459600E-04  1.7072787863896E-10
   563  5.6200000000000E+00  8.2398891095692E-04  8.2404008611471E-04  1.6270640188421E-10
   564  5.6300000000000E+00  8.0902642942755E-04  8.0907672973037E-04  1.5506279486580E-10
   565  5.6400000000000E+00  7.9433804183464E-04  7.9438748245577E-04  1.4777920685827E-10
   566  5.6500000000000E+00  7.7991867268781E-04  7.7996726853230E-04  1.4083863303786E-10
   567  5.6600000000000E+00  7.6576334185496E-04  7.6581110756451E-04  1.3422487436485E-10
   568  5.6700000000000E+00  7.5186716273232E-04  7.5191411269004E-04  1.2792249899515E-10
   569  5.6800000000000E+00  7.3822534045168E-04  7.3827148878679E-04  1.2191680580611E-10
   570  5.6900000000000E+00  7.2483317012477E-04  7.2487853071717E-04  1.1619379013725E-10
   571  5.7000000000000E+00  7.1168603511865E-04  7.1173062160346E-04  1.1074011023792E-10
   572  5.7100000000000E+00  6.9877940536707E-04  6.9882323113902E-04  1.0554305581661E-10
   573  5.7200000000000E+00  6.8610883571597E-04  6.8615191393376E-04  1.0059051830811E-10
   574  5.7300000000000E+00  6.7366996429992E-04  6.7371230789050E-04  9.5870962184117E-11
   575  5.7400000000000E+00  6.6145851095051E-04  6.6150013261323E-04  9.1373397626636E-11
   576  5.7500000000000E+00  6.4947027563672E-04  6.4951118784743E-04  8.7087354680234E-11
   577  5.7600000000000E+00  6.3770113693669E-04  6.3774135195182E-04  8.3002858806201E-11
   578  5.7700000000000E+00  6.2614705053711E-04  6.2618658039755E-04  7.9110407090151E-11
   579  5.7800000000000E+00  6.1480404776332E-04  6.1484290429837E-04  7.5400945872451E-11
   580  5.7900000000000E+00  6.0366823413955E-04  6.0370642897066E-04  7.1865849692111E-11
   581  5.8000000000000E+00  5.9273578797495E-04  5.9277333251951E-04  6.8496900795934E-11
   582  5.8100000000000E+00  5.8200295897813E-04  5.8203986445311E-04  6.5286269763066E-11
   583  5.8200000000000E+00  5.7146606689931E-04  5.7150234432487E-04  6.2226497161119E-11
   584  5.8300000000000E+00  5.6112150019923E-04  5.6115716040223E-04  5.9310476126266E-11
   585  5.8400000000000E+00  5.5096571474235E-04  5.5100076835986E-04  5.6531435466931E-11
   586  5.8500000000000E+00  5.4099523251657E-04  5.4102968999923E-04  5.3882923752438E-11
   587  5.8600000000000E+00  5.3120664037916E-04  5.3124051199454E-04  5.1358794374635E-11
   588  5.8700000000000E+00  5.2159658882482E-04  5.2162988466070E-04  4.8953190940001E-11
   589  5.8800000000000E+00  5.1216179077861E-04  5.1219452074620E-04  4.6660533508567E-11
   590  5.8900000000000E+00  5.0289902041282E-04  5.0293119424991E-04  4.4475505552935E-11
   591  5.9000000000000E+00  4.9380511198707E-04  4.9383673926114E-04  4.2393041572072E-11
   592  5.9100000000000E+00  4.8487695870932E-04  4.8490804882056E-04  4.0408315067476E-11
   593  5.9200000000000E+00  4.7611151161998E-04  4.7614207380432E-04  3.8516727227500E-11
   594  5.9300000000000E+00  4.6750577849882E-04  4.6753582183082E-04  3.6713896306584E-11
   595  5.9400000000000E+00  4.5905682279098E-04  4.5908635618674E-04  3.4995647237496E-11
   596  5.9500000000000E+00  4.5076176255462E-04  4.5079079477458E-04  3.3358001837317E-11
   597  5.9600000000000E+00  4.4261776942912E-04  4.4264630908086E-04  3.1797169517456E-11
   598  5.9700000000000E+00  4.3462206762392E-04  4.3465012316487E-04  3.0309538502547E-11
   599  5.9800000000000E+00  4.2677193292506E-04  4.2679951266517E-04  2.8891667252319E-11
   600  5.9900000000000E+00  4.1906469172194E-04  4.1909180382631E-04  2.7540276417575E-11
<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
  Br 35.00    6    2       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    5.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   2.08816  -0.73993    4    8   5.35371
    1   2.09826  -0.28884    4    8   5.50000
    2   2.20000   0.10000    4    8   7.50000
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.83228      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   3.20000
    1    2   4.00000
    2    2   2.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   8.00000   1.21000
#
# 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):  11 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  14 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.46 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.41 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>