burai/pseudopot/Cu.pbe-dn-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: Cu
    Functional: PBE

    Suggested minimum cutoff for wavefunctions:  45. Ry
    Suggested minimum cutoff for charge density: 236. Ry
    The Pseudo was generated with a Scalar-Relativistic Calculation
    Local Potential by smoothing AE potential with Bessel fncs, cutoff radius:   1.9000
    Pseudopotential contains additional information for GIPAW reconstruction.

    Valence configuration: 
    nl pn  l   occ       Rcut    Rcut US       E pseu
    4S  1  0  1.50      1.300      2.100    -0.380945
    4P  2  1  0.00      1.300      2.100    -0.067536
    3D  3  2  9.50      1.300      1.800    -0.522111
    Generation configuration:
    4S  1  0  1.50      1.300      2.100    -0.380944
    4S  1  0  0.00      1.300      2.100     6.100000
    4P  2  1  0.00      1.300      2.100    -0.067536
    4P  2  1  0.00      1.300      2.100     6.300000
    3D  3  2  9.50      1.300      1.800    -0.522110
    3D  3  2  0.00      1.300      1.800    -0.200000

    Pseudization used: troullier-martins
<PP_INPUTFILE>
 &input
   title='Cu',
   zed=29.,
   rel=1,
   config='[Ar] 4s1.5 4p0 3d9.5',
   iswitch=3,
   dft='PBE'
 /
 &inputp
   lpaw=.false.,
   pseudotype=3,
   file_pseudopw='Cu.pbe-dn-rrkjus_psl.1.0.0.UPF',
   author='ADC',
   lloc=-1,
   rcloc=1.9,
   which_augfun='PSQ',
   rmatch_augfun_nc=.true.,
   nlcc=.true.,
   new_core_ps=.true.,
   rcore=1.0,
   tm=.true.
 /
6
4S  1  0  1.50  0.00  1.30  2.10  0.0
4S  1  0  0.00  6.10  1.30  2.10  0.0
4P  2  1  0.00  0.00  1.30  2.10  0.0
4P  2  1  0.00  6.30  1.30  2.10  0.0
3D  3  2  9.50  0.00  1.30  1.80  0.0
3D  3  2  0.00 -0.20  1.30  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="Cu"
             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="1.100000000000000E+001"
             total_psenergy="-1.224363300298618E+002"
             wfc_cutoff="4.466406212032003E+001"
             rho_cutoff="2.358753439692086E+002"
             l_max="2"
             l_max_rho="4"
             l_local="-1"
             mesh_size="1199"
             number_of_wfc="3"
             number_of_proj="6"/>
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zmesh="2.900000000000000E+001">
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</UPF>