File: B.pbe-n-kjpaw_psl.1.0.0.UPF

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<UPF version="2.0.1">
  <PP_INFO>
Generated using "atomic" code by A. Dal Corso  v.6.3
Author: ADC
Generation date:  6Sep2018
Pseudopotential type: PAW
Element:  B
Functional:  SLA  PW   PBX  PBC
    Suggested minimum cutoff for wavefunctions:  43. Ry
    Suggested minimum cutoff for charge density: 325. Ry
    The Pseudo was generated with a Scalar-Relativistic Calculation
    Local Potential by smoothing AE potential with Bessel fncs, cutoff radius:   1.2000
    Pseudopotential contains additional information for GIPAW reconstruction.
    Valence configuration:
    nl pn  l   occ       Rcut    Rcut US       E pseu
    2S  1  0  2.00      1.000      1.200    -0.694058
    2P  2  1  1.00      1.000      1.400    -0.265109
    Generation configuration:
    2S  1  0  2.00      1.000      1.200    -0.694054
    2S  1  0  0.00      1.000      1.200     3.000000
    2P  2  1  1.00      1.000      1.400    -0.265108
    2P  2  1  0.00      1.000      1.400     1.500000
    Pseudization used: troullier-martins

    <PP_INPUTFILE>
 &amp;input
   title='B',
   zed=5.,
   rel=1,
   config='[He] 2s2 2p1',
   iswitch=3,
   dft='PBE'
 /
 &amp;inputp
   lpaw = .true.,
   use_xsd=.FALSE.,
   pseudotype=3,
   file_pseudopw='B.pbe-n-kjpaw_psl.1.0.0.UPF',
   author='ADC',
   lloc=-1,
   rcloc=1.2
   which_augfun='PSQ',
   rmatch_augfun_nc=.true.,
   nlcc=.true.,
   new_core_ps=.true.,
   rcore=0.9,
   tm=.true.
 /
4
2S  1  0  2.00  0.00  1.00  1.20  0.0
2S  1  0  0.00  3.00  1.00  1.20  0.0
2P  2  1  1.00  0.00  1.00  1.40  0.0
2P  2  1  0.00  1.50  1.00  1.40  0.0
</PP_INPUTFILE>
  </PP_INFO>
  <!--
 END OF HUMAN READABLE SECTION 
-->
  <PP_HEADER generated="Generated using &quot;atomic&quot; code by A. Dal Corso  v.6.3" author="ADC" date=" 6Sep2018" comment="" element=" B" pseudo_type="PAW" relativistic="scalar" is_ultrasoft="true" is_paw="true" is_coulomb="false" has_so="false" has_wfc="true" has_gipaw="true" paw_as_gipaw="true" core_correction="true" functional=" SLA  PW   PBX  PBC" z_valence="3.000000000000e0" total_psenergy="-1.096733636160e1" wfc_cutoff="4.258873786381e1" rho_cutoff="3.245670417417e2" l_max="1" l_max_rho="2" l_local="-1" mesh_size="1059" number_of_wfc="2" number_of_proj="4"/>
  <PP_MESH dx="1.250000000000e-2" mesh="1059" xmin="-7.000000000000e0" rmax="1.000000000000e2" zmesh="5.000000000000e0">
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      <!-- augmentation charge multipoles (only for PAW) -->
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    </PP_GIPAW_CORE_ORBITALS>
  </PP_GIPAW>
</UPF>