burai/pseudopot/Ga.pbe-dnl-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: Ga
    Functional: PBE

    Suggested minimum cutoff for wavefunctions:  43. Ry
    Suggested minimum cutoff for charge density: 240. 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  2.00      1.300      2.200    -0.657691
    4P  2  1  1.00      1.300      2.200    -0.189559
    3D  3  2 10.00      1.300      1.700    -1.407824
    Generation configuration:
    4S  1  0  2.00      1.300      2.200    -0.657690
    4S  1  0  0.00      1.300      2.200     6.100000
    4P  2  1  1.00      1.300      2.200    -0.189559
    4P  2  1  0.00      1.300      2.200     6.300000
    3D  3  2 10.00      1.300      1.700    -1.407824
    3D  3  2  0.00      1.300      1.700    -1.300000

    Pseudization used: troullier-martins
<PP_INPUTFILE>
 &input
   title='Ga',
   zed=31.,
   rel=1,
   config='[Ar] 4s2 4p1 3d10',
   iswitch=3,
   dft='PBE'
 /
 &inputp
   lpaw=.false.,
   pseudotype=3,
   file_pseudopw='Ga.pbe-dnl-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=1.1,
   tm=.true.
 /
6
4S  1  0  2.00  0.00  1.30  2.20  0.0
4S  1  0  0.00  6.10  1.30  2.20  0.0
4P  2  1  1.00  0.00  1.30  2.20  0.0
4P  2  1  0.00  6.30  1.30  2.20  0.0
3D  3  2 10.00  0.00  1.30  1.70  0.0
3D  3  2  0.00 -1.30  1.30  1.70  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="Ga"
             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="1.300000000000000E+001"
             total_psenergy="-1.708228823284694E+002"
             wfc_cutoff="4.330363725499698E+001"
             rho_cutoff="2.395402676798108E+002"
             l_max="2"
             l_max_rho="4"
             l_local="-1"
             mesh_size="1205"
             number_of_wfc="3"
             number_of_proj="6"/>
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