<UPF version="2.0.1">
  <PP_INFO>
    Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869
    Author: ADC
    Generation date: 10Apr2014
    Pseudopotential type: PAW
    Element: Fe
    Functional:  SLA  PW   PBX  PBC

    Suggested minimum cutoff for wavefunctions:  64. Ry
    Suggested minimum cutoff for charge density: 782. Ry
    The Pseudo was generated with a Scalar-Relativistic Calculation
    Local Potential according to Troullier-Martins recipe, cutoff radius:   1.8000
    Pseudopotential contains additional information for GIPAW reconstruction.

    Valence configuration: 
    nl pn  l   occ       Rcut    Rcut US       E pseu
    3S  1  0  2.00      1.100      1.300    -6.910119
    4S  2  0  2.00      0.800      1.400    -0.388933
    3P  2  1  6.00      1.000      1.300    -4.413015
    4P  3  1  0.00      1.000      1.600    -0.097407
    3D  3  2  6.00      1.400      2.000    -0.551558
    Generation configuration:
    3S  1  0  2.00      1.100      1.300    -6.910160
    4S  2  0  2.00      0.800      1.400    -0.388938
    3P  2  1  6.00      1.000      1.300    -4.413054
    4P  3  1  0.00      1.000      1.600    -0.097411
    3D  3  2  6.00      1.400      2.000    -0.551588
    3D  3  2  0.00      1.400      2.000    -0.400000

    Pseudization used: troullier-martins
<PP_INPUTFILE>
 &input
   title='Fe',
   zed=26.,
   rel=1,
   config='[Ar] 4s2.0 3d6.0 4p0',
   iswitch=3,
   dft='PBE'
 /
 &inputp
   lpaw=.true.,
   pseudotype=3,
   file_pseudopw='Fe.pbe-spn-kjpaw_psl.0.2.1.UPF',
   author='ADC',
   lloc=-2,
   rcloc=1.8,
   which_augfun='PSQ',
   rmatch_augfun=0.68,
   nlcc=.true.,
   new_core_ps=.true.,
   rcore=0.6,
   tm=.true.
   lgipaw_reconstruction=.true.
   use_paw_as_gipaw=.true.
 /
6
3S  1  0  2.00  0.00  1.10  1.30  0.0
4S  2  0  2.00  0.00  0.80  1.40  0.0
3P  2  1  6.00  0.00  1.00  1.30  0.0
4P  3  1  0.00  0.00  1.00  1.60  0.0
3D  3  2  6.00  0.00  1.40  2.00  0.0
3D  3  2  0.00 -0.40  1.40  2.00  0.0
</PP_INPUTFILE>
  </PP_INFO>
  <!--                               -->
  <!-- END OF HUMAN READABLE SECTION -->
  <!--                               -->
  <PP_HEADER generated='Generated using "atomic" code by A. Dal Corso  v.5.0.99 svn rev. 10869'
             author="ADC"
             date="10Apr2014"
             comment=""
             element="Fe"
             pseudo_type="PAW"
             relativistic="scalar"
             is_ultrasoft="T"
             is_paw="T"
             is_coulomb="F"
             has_so="F"
             has_wfc="T"
             has_gipaw="T"
             paw_as_gipaw="T"
             core_correction="T"
             functional=" SLA  PW   PBX  PBC"
             z_valence="1.600000000000000E+001"
             total_psenergy="-3.286056283337053E+002"
             wfc_cutoff="6.392614047675073E+001"
             rho_cutoff="7.817369406582422E+002"
             l_max="2"
             l_max_rho="4"
             l_local="-2"
             mesh_size="1191"
             number_of_wfc="5"
             number_of_proj="6"/>
  <PP_MESH dx="1.250000000000000E-002" mesh="1191" xmin="-7.000000000000000E+000" rmax="1.000000000000000E+002"
zmesh="2.600000000000000E+001">
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    </PP_GIPAW_CORE_ORBITALS>
  </PP_GIPAW>
</UPF>
