quantum-espresso-data 6.0-3.1 / usr / share / espresso / pseudo / C.pz-kjpaw.UPF

<UPF version="2.0.0">
  <PP_INFO>
    Generated using "atomic" code by A. Dal Corso (espresso distribution)
    Author: "Lorenzo Paulatto" /paulatto@sissa.it/
    Generation date: 24Sep2008
    Pseudopotential type: PAW
    Element:  C
    Functional:  SLA  PZ   NOGX NOGC

    Suggested minimum cutoff for wavefunctions:  37. Ry
    Suggested minimum cutoff for charge density: 147. Ry
    The Pseudo was generated with a Non-Relativistic Calculation
    L component and cutoff radius for Local Potential:  2   1.1000

    Valence configuration: 
    nl pn  l   occ       Rcut    Rcut US       E pseu
    2S  1  0  2.00      1.000      1.300    -1.001950
    2P  2  1  2.00      1.000      1.450    -0.398599
    Generation configuration:
    2S  1  0  2.00      1.000      1.300    -1.001950
    2S  1  0  0.00      1.000      1.300     0.050000
    2P  2  1  2.00      1.000      1.450    -0.398599
    2P  2  1  0.00      1.000      1.450     0.050000
    3D  3  2 -2.00      1.100      1.100     0.100000

    Pseudization used: troullier-martins
  </PP_INFO>
  <!--                               -->
  <!-- END OF HUMAN READABLE SECTION -->
  <!--                               -->
  <PP_HEADER generated='Generated using "atomic" code by A. Dal Corso (espresso distribution)'
             author='"Lorenzo Paulatto" &lt;paulatto@sissa.it&gt;'
             date="24Sep2008"
             comment=""
             element=" C"
             pseudo_type="PAW"
             relativistic="no"
             is_ultrasoft="T"
             is_paw="T"
             is_coulomb="F"
             has_so="F"
             has_wfc="T"
             has_gipaw="F"
             core_correction="T"
             functional=" SLA  PZ   NOGX NOGC"
             z_valence="4.000000000000000E+000"
             total_psenergy="-1.706902632738841E+001"
             wfc_cutoff="3.671436379881764E+001"
             rho_cutoff="1.468574551952706E+002"
             l_max="1"
             l_max_rho="2"
             l_local="2"
             mesh_size="1073"
             number_of_wfc="2"
             number_of_proj="4"/>
  <PP_MESH dx="1.250000000000000E-002" mesh="1073" xmin="-7.000000000000000E+000" rmax="1.000000000000000E+002"
zmesh="6.000000000000000E+000">
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