File: N.pbe-n-radius_5.UPF

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quantum-espresso-data-sssp 1.3.0-3
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<UPF version="2.0.1">
  <PP_INFO>
    Generated using "atomic" code by A. Dal Corso  v.5.1
    Author: ivca
    Generation date: 11Dec2014
    Pseudopotential type: USPP
    Element:  N
    Functional: PBE

    Suggested minimum cutoff for wavefunctions:  39. Ry
    Suggested minimum cutoff for charge density: 267. 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    -1.365819
    2P  2  1  3.00      1.000      1.440    -0.521108
    Generation configuration:
    2S  1  0  2.00      1.000      1.300    -1.365812
    2S  1  0  0.00      1.000      1.300     0.050000
    2P  2  1  3.00      1.000      1.440    -0.521105
    2P  2  1  0.00      1.000      1.450     0.050000
    3D  3  2 -2.00      1.100      1.100     0.150000

    Pseudization used: troullier-martins
<PP_INPUTFILE>
 &amp;input
   title='N',
   zed=7.,
   rel=1,
   config='[He] 2s2 2p3 3d-2',
   iswitch=3,
   dft='PBE'
 /
 &amp;inputp
   pseudotype=3,
   file_pseudopw='N.pbe-n-radius_5.UPF',
   author='ivca',
   which_augfun='PSQ',
   rmatch_augfun=1.0,
   lloc=2,
   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  3.00  0.00  1.00  1.44  0.0
2P  2  1  0.00  0.05  1.00  1.45  0.0
3D  3  2 -2.00  0.15  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.5.1'
             author="ivca"
             date="11Dec2014"
             comment=""
             element=" N"
             pseudo_type="USPP"
             relativistic="scalar"
             is_ultrasoft="T"
             is_paw="F"
             is_coulomb="F"
             has_so="F"
             has_wfc="F"
             has_gipaw="F"
             paw_as_gipaw="F"
             core_correction="T"
             functional="PBE"
             z_valence="5.000000000000000E+000"
             total_psenergy="-1.957664890994552E+001"
             wfc_cutoff="3.863562457815743E+001"
             rho_cutoff="2.670072819915213E+002"
             l_max="2"
             l_max_rho="4"
             l_local="2"
             mesh_size="1085"
             number_of_wfc="2"
             number_of_proj="4"/>
  <PP_MESH dx="1.250000000000000E-002" mesh="1085" xmin="-7.000000000000000E+000" rmax="1.000000000000000E+002"
zmesh="7.000000000000000E+000">
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 1.035296808781155E-014  6.710293427435270E-015  4.325119983427370E-015  2.772069851645009E-015
 1.766560465970648E-015  1.119282595429612E-015  7.050275465437679E-016  4.414640069286638E-016
 2.747734588443921E-016  1.699853535366342E-016  1.045134133476991E-016  6.385905886178248E-017
 3.877293449540825E-017  2.339137755405429E-017  1.402066961072759E-017  8.348951946193635E-018
 4.938662987212380E-018  2.901780568072282E-018  1.693403915191822E-018  9.814314479499185E-019
 5.648393383768591E-019  3.227878051509327E-019  1.831461111463411E-019  1.031638115273804E-019
 5.768545944114568E-020  3.201653556249016E-020  1.763642353401804E-020  9.641255578220911E-021
 5.230000553332683E-021  2.814962307837224E-021  1.503153246896245E-021  7.962516382979915E-022
 4.183789801690778E-022  2.180305228665172E-022  1.126801928381344E-022  5.774509128715268E-023
 2.934090839558808E-023  1.478006142187029E-023  7.380329355017162E-024  3.652784864616135E-024
 1.791730630219407E-024  8.709082989309088E-025  4.194434582467401E-025  2.001360301187856E-025
 9.459690690679426E-026  4.428704378009177E-026  2.053393571502022E-026  9.427801940637458E-027
 4.285857995942572E-027  1.928856127247476E-027  8.592936382344578E-028  3.788849414399318E-028
 1.653258115946094E-028  7.138129575901502E-029  3.049164077610583E-029  1.288460762279359E-029
 5.385131739444562E-030  2.225851316639355E-030  9.097244170362761E-031  3.676003095154912E-031
 1.468357694429056E-031  5.797152363157799E-032  2.261832857579072E-032  8.719759933164021E-033
 3.321094582042134E-033  1.249465599059974E-033  4.642656156578683E-034  1.703491083548976E-034
 6.171282856296837E-035  2.207006100970811E-035  7.790287447047044E-036  2.713649708659008E-036
 9.326786437473854E-037  3.162386160418611E-037  1.057616331157715E-037  3.488161627227868E-038
 1.134342323921760E-038  3.636584483273242E-039  1.149124780154117E-039  3.578373240355519E-040
 1.097915725120873E-040  3.318457578311890E-041  9.878827226008365E-042  2.895964887984861E-042
 8.358259668659562E-043  2.374586083990265E-043  6.639314242935196E-044  1.826562132920078E-044
 4.943484407283715E-045  1.315921079198051E-045  3.444560466773107E-046  8.864480196362417E-047
 2.242308027739202E-047  5.573983537277747E-048  1.361348122598481E-048  3.265948347001621E-049
 7.694640050505901E-050  1.779947696492226E-050  4.041717157343372E-051  9.006641789176387E-052
 1.969225419179693E-052  4.223373881071124E-053  8.882799438109206E-054  1.831722858592147E-054
 3.702382352565791E-055  7.333393957681801E-056  1.423050432803214E-056  2.704674337250164E-057
 5.033563593599425E-058  9.170374686259867E-059  1.635057943279130E-059  2.852304606849630E-060
 4.866940168243160E-061
  </PP_RHOATOM>
</UPF>