burai/pseudopot/Am.pbe-spfn-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: Am
    Functional: PBE

    Suggested minimum cutoff for wavefunctions:  48. Ry
    Suggested minimum cutoff for charge density: 284. Ry
    The Pseudo was generated with a Scalar-Relativistic Calculation
    Local Potential by smoothing AE potential with Bessel fncs, cutoff radius:   2.1000
    Pseudopotential contains additional information for GIPAW reconstruction.

    Valence configuration: 
    nl pn  l   occ       Rcut    Rcut US       E pseu
    6S  1  0  2.00      1.400      1.600    -3.971175
    7S  2  0  2.00      1.400      1.600    -0.327016
    6P  2  1  6.00      1.400      1.900    -1.862011
    6D  3  2  1.00      1.500      2.300    -0.154306
    5F  4  3  6.00      1.400      1.800    -0.440470
    Generation configuration:
    6S  1  0  2.00      1.400      1.600    -3.971229
    7S  2  0  2.00      1.400      1.600    -0.327026
    6P  2  1  6.00      1.400      1.900    -1.862045
    7P  3  1  0.00      1.400      1.900     5.000000
    6D  3  2  1.00      1.500      2.300    -0.154320
    6D  3  2  0.00      1.500      2.300     4.800000
    5F  4  3  6.00      1.400      1.800    -0.440528
    5F  4  3  0.00      1.400      1.800     3.100000

    Pseudization used: troullier-martins
<PP_INPUTFILE>
 &input
   title='Am',
   zed=95.0,
   rel=1,
   config='[Rn] 6d1.0 7s2.0 7p0. 5f6.0',
   iswitch=3,
   dft='PBE'
 /
 &inputp
   lpaw=.false.,
   pseudotype=3,
   file_pseudopw='Am.pbe-spfn-rrkjus_psl.1.0.0.UPF',
   author='ADC',
   lloc=-1,
   rcloc=2.1,
   which_augfun='PSQ',
   rmatch_augfun_nc=.true.,
   nlcc=.true.,
   new_core_ps=.true.,
   rcore=1.1,
   tm=.true.
 /
8
6S  1  0  2.00  0.00  1.40  1.60  0.0
7S  2  0  2.00  0.00  1.40  1.60  0.0
6P  2  1  6.00  0.00  1.40  1.90  0.0
7P  3  1  0.00  5.00  1.40  1.90  0.0
6D  3  2  1.00  0.00  1.50  2.30  0.0
6D  3  2  0.00  4.80  1.50  2.30  0.0
5F  4  3  6.00  0.00  1.40  1.80  0.0
5F  4  3  0.00  3.10  1.40  1.80  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="Am"
             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="1.700000000000000E+001"
             total_psenergy="-2.464973121068629E+002"
             wfc_cutoff="4.848059194117997E+001"
             rho_cutoff="2.843533311009877E+002"
             l_max="3"
             l_max_rho="6"
             l_local="-1"
             mesh_size="1293"
             number_of_wfc="5"
             number_of_proj="8"/>
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zmesh="9.500000000000000E+001">
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