burai/pseudopot/Cd.pbe-n-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: Cd
    Functional: PBE

    Suggested minimum cutoff for wavefunctions:  37. Ry
    Suggested minimum cutoff for charge density: 638. Ry
    The Pseudo was generated with a Scalar-Relativistic Calculation
    Local Potential by smoothing AE potential with Bessel fncs, cutoff radius:   2.4000
    Pseudopotential contains additional information for GIPAW reconstruction.

    Valence configuration: 
    nl pn  l   occ       Rcut    Rcut US       E pseu
    5S  1  0  2.00      1.600      2.300    -0.507116
    5P  2  1  0.50      1.600      2.300    -0.139894
    4D  3  2  9.50      0.750      1.800    -1.069763
    Generation configuration:
    5S  1  0  2.00      1.600      2.300    -0.507115
    5S  1  0  0.00      1.600      2.300     6.000000
    5P  2  1  0.50      1.600      2.300    -0.139894
    5P  2  1  0.00      1.600      2.300     8.000000
    4D  3  2  9.50      0.750      1.800    -1.069763
    4D  3  2  0.00      0.750      1.800     4.300000

    Pseudization used: troullier-martins
<PP_INPUTFILE>
 &input
   title='Cd',
   zed=48.,
   rel=1,
   config='[Kr] 5s2 5p0.5 4d9.5',
   iswitch=3,
   dft='PBE'
 /
 &inputp
   lpaw=.false.,
   pseudotype=3,
   file_pseudopw='Cd.pbe-n-rrkjus_psl.1.0.0.UPF',
   author='ADC',
   lloc=-1,
   rcloc=2.4,
   which_augfun='PSQ',
   rmatch_augfun_nc=.true.,
   nlcc=.true.,
   new_core_ps=.true.,
   rcore=1.8,
   tm=.true.
 /
6
5S  1  0  2.00  0.00  1.60  2.30  0.0
5S  1  0  0.00  6.00  1.60  2.30  0.0
5P  2  1  0.50  0.00  1.60  2.30  0.0
5P  2  1  0.00  8.00  1.60  2.30  0.0
4D  3  2  9.50  0.00  0.75  1.80  0.0
4D  3  2  0.00  4.30  0.75  1.80  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="Cd"
             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="1.200000000000000E+001"
             total_psenergy="-9.991409262869971E+001"
             wfc_cutoff="3.711761800665363E+001"
             rho_cutoff="6.375769720795007E+002"
             l_max="2"
             l_max_rho="4"
             l_local="-1"
             mesh_size="1239"
             number_of_wfc="3"
             number_of_proj="6"/>
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zmesh="4.800000000000000E+001">
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