burai/pseudopot/Cr.pbe-spn-rrkjus_psl.1.0.0.UPF

<UPF version="2.0.1">
  <PP_INFO>
    Generated using "atomic" code by A. Dal Corso  v.5.1.2
    Author: ADC
    Generation date: 30Jul2016
    Pseudopotential type: USPP
    Element: Cr
    Functional: PBE

    Suggested minimum cutoff for wavefunctions:  48. Ry
    Suggested minimum cutoff for charge density: 457. Ry
    The Pseudo was generated with a Scalar-Relativistic Calculation
    Local Potential by smoothing AE potential with Bessel fncs, cutoff radius:   1.4000
    Pseudopotential contains additional information for GIPAW reconstruction.

    Valence configuration: 
    nl pn  l   occ       Rcut    Rcut US       E pseu
    3S  1  0  2.00      0.750      1.530    -5.730203
    4S  2  0  2.00      0.750      1.530    -0.361019
    3P  2  1  6.00      1.000      1.350    -3.621161
    3D  3  2  4.00      1.100      1.650    -0.440589
    Generation configuration:
    3S  1  0  2.00      0.750      1.530    -5.730243
    4S  2  0  2.00      0.750      1.530    -0.361026
    3P  2  1  6.00      1.000      1.350    -3.621190
    4P  3  1  0.00      1.000      1.350     7.000000
    3D  3  2  4.00      1.100      1.650    -0.440614
    3D  3  2  0.00      1.100      1.650     0.050000

    Pseudization used: troullier-martins
<PP_INPUTFILE>
 &input
   title='Cr',
   zed=24.,
   rel=1,
   config='[Ar] 4s2 4p0 3d4',
   iswitch=3,
   dft='PBE'
 /
 &inputp
   lpaw=.false.,
   pseudotype=3,
   file_pseudopw='Cr.pbe-spn-rrkjus_psl.1.0.0.UPF',
   author='ADC',
   lloc=-1,
   rcloc=1.4,
   which_augfun='PSQ',
   rmatch_augfun_nc=.true.,
   nlcc=.true.,
   new_core_ps=.true.,
   rcore=0.8,
   tm=.true.
 /
6
3S  1  0  2.00  0.00  0.75  1.53  0.0
4S  2  0  2.00  0.00  0.75  1.53  0.0
3P  2  1  6.00  0.00  1.00  1.35  0.0
4P  3  1  0.00  7.00  1.00  1.35  0.0
3D  3  2  4.00  0.00  1.10  1.65  0.0
3D  3  2  0.00  0.05  1.10  1.65  0.0
</PP_INPUTFILE>
  </PP_INFO>
  <!--                               -->
  <!-- END OF HUMAN READABLE SECTION -->
  <!--                               -->
  <PP_HEADER generated='Generated using "atomic" code by A. Dal Corso  v.5.1.2'
             author="ADC"
             date="30Jul2016"
             comment=""
             element="Cr"
             pseudo_type="USPP"
             relativistic="scalar"
             is_ultrasoft="T"
             is_paw="F"
             is_coulomb="F"
             has_so="F"
             has_wfc="F"
             has_gipaw="T"
             paw_as_gipaw="F"
             core_correction="T"
             functional="PBE"
             z_valence="1.400000000000000E+001"
             total_psenergy="-1.743047848877424E+002"
             wfc_cutoff="4.803377474044279E+001"
             rho_cutoff="4.566060737585531E+002"
             l_max="2"
             l_max_rho="4"
             l_local="-1"
             mesh_size="1183"
             number_of_wfc="4"
             number_of_proj="6"/>
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zmesh="2.400000000000000E+001">
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