quantum-espresso-data 6.0-3 / usr / share / espresso / pseudo / C.pbe-n-kjpaw_psl.0.1.UPF

<UPF version="2.0.1">
  <PP_INFO>
    Generated using "atomic" code by A. Dal Corso  v.5.0.2 svn rev. 9415
    Author: Lorenzo Paulatto
    Generation date: 11Sep2012
    Pseudopotential type: PAW
    Element:  C
    Functional:  SLA  PW   PBX  PBC

    Suggested minimum cutoff for wavefunctions:  37. Ry
    Suggested minimum cutoff for charge density: 147. Ry
    The Pseudo was generated with a Scalar-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    -1.010676
    2P  2  1  2.00      1.000      1.450    -0.388489
    Generation configuration:
    2S  1  0  2.00      1.000      1.300    -1.010668
    2S  1  0  0.00      1.000      1.300     0.050000
    2P  2  1  2.00      1.000      1.450    -0.388486
    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_INPUTFILE>
 &input
   title='C',
   zed=6,
   rel=1,
   config='[He] 2s2 2p2 3d-2',
   iswitch=3,
   dft='PBE'
 /
 &inputp
   lpaw=.true.,
   pseudotype=3,
   file_pseudopw='C.pbe-n-kjpaw_psl.0.1.UPF',
   author='Lorenzo Paulatto',
   lloc=2,
   which_augfun ='BESSEL',
   rmatch_augfun=1.1,
   nlcc=.true.,
   new_core_ps=.true.,
   rcore=0.8,
   tm=.true.
 /
5
2S  1  0  2.00  0.00  1.00  1.30  0.0
2S  1  0  0.00  0.05  1.00  1.30  0.0
2P  2  1  2.00  0.00  1.00  1.45  0.0
2P  2  1  0.00  0.05  1.00  1.45  0.0
3D  3  2 -2.00  0.10  1.10  1.10  0.0
</PP_INPUTFILE>
  </PP_INFO>
  <!--                               -->
  <!-- END OF HUMAN READABLE SECTION -->
  <!--                               -->
  <PP_HEADER generated='Generated using "atomic" code by A. Dal Corso  v.5.0.2 svn rev. 9415'
             author="Lorenzo Paulatto"
             date="11Sep2012"
             comment=""
             element=" C"
             pseudo_type="PAW"
             relativistic="scalar"
             is_ultrasoft="T"
             is_paw="T"
             is_coulomb="F"
             has_so="F"
             has_wfc="T"
             has_gipaw="F"
             paw_as_gipaw="F"
             core_correction="T"
             functional=" SLA  PW   PBX  PBC"
             z_valence="4.000000000000000E+000"
             total_psenergy="-1.776582653165165E+001"
             wfc_cutoff="3.665690458989469E+001"
             rho_cutoff="1.466276183595787E+002"
             l_max="1"
             l_max_rho="2"
             l_local="2"
             mesh_size="1073"
             number_of_wfc="2"
             number_of_proj="4"/>
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zmesh="6.000000000000000E+000">
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