/usr/share/espresso/pseudo/O.pz-van

<PP_INFO>
Generated using Vanderbilt code, version   7  3  4                              
Author: unknown    Generation date:    4    3    5                              
Automatically converted from original format                                    
    0        The Pseudo was generated with a Non-Relativistic Calculation
  1.00000000000E+00    Local Potential cutoff radius
nl pn  l   occ               Rcut            Rcut US             E pseu
2S  2  0  2.00     10.00000000000      1.20000000000     -1.74236290114
2P  2  1  4.00     10.00000000000      1.20000000000     -0.67658295941
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  O                    Element
   US                  Ultrasoft pseudopotential
    F                  Nonlinear Core Correction
 SLA  PZ   NOGX NOGC   PZ   Exchange-Correlation functional
    6.00000000000      Z valence
  -31.51532769045      Total energy
  0.0000000  0.0000000 Suggested cutoff for wfc and rho
    1                  Max angular momentum component
  737                  Number of points in mesh
    2    4             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       2S  0  2.00
                       2P  1  4.00
</PP_HEADER>


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 -1.86201735605E-01 -1.27790216897E-01 -6.10270890648E-02 -9.31141698234E-03
  7.43799474301E-04  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  </PP_BETA>
  <PP_BETA>
    4    1             Beta    L
   507
  0.00000000000E+00 -1.29434364451E-10 -5.21154326374E-09 -4.74774416158E-09
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 -6.93897785782E-09 -7.26921963594E-09 -7.62664196131E-09 -8.01661757421E-09
 -8.43603328116E-09 -8.89062102129E-09 -9.37853752901E-09 -9.90383052632E-09
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 -1.31258001615E-08 -1.39025876900E-08 -1.47264512678E-08 -1.56035133528E-08
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 -2.08170485438E-08 -2.20446777931E-08 -2.33367451424E-08 -2.47024270308E-08
 -2.61363281160E-08 -2.76515125823E-08 -2.92401120481E-08 -3.09123249729E-08
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 -4.06258555569E-08 -4.28648701280E-08 -4.52090090323E-08 -4.76682315360E-08
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 -4.51184043605E-05 -4.65449104032E-05 -4.80095076673E-05 -4.95126630245E-05
 -5.10548587962E-05 -5.26364749083E-05 -5.42578913353E-05 -5.59193712076E-05
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 -8.11410024795E-05 -8.33404685263E-05 -8.55708366937E-05 -8.78299585585E-05
 -9.01154063938E-05 -9.24243883708E-05 -9.47538171473E-05 -9.71001769015E-05
 -9.94595502729E-05 -1.01827570442E-04 -1.04199403165E-04 -1.06569617808E-04
 -1.08932316569E-04 -1.11280883480E-04 -1.13608101976E-04 -1.15905997650E-04
 -1.18165838382E-04 -1.20378012145E-04 -1.22532092993E-04 -1.24616538001E-04
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 -4.16165186340E-05 -2.64025733799E-05 -9.50235727925E-06  9.22229545024E-06
  2.99197745312E-05  5.27494055626E-05  7.78821486096E-05  1.05501493712E-04
  1.35804276291E-04  1.69001636640E-04  2.05319911923E-04  2.45001887570E-04
  2.88307682103E-04  3.35516086253E-04  3.86925822564E-04  4.42856835487E-04
  5.03651823941E-04  5.69677677660E-04  6.41327204343E-04  7.19020823648E-04
  8.03208393978E-04  8.94371261944E-04  9.93024244381E-04  1.09971797693E-03
  1.21504113923E-03  1.33962310035E-03  1.47413648817E-03  1.61930005497E-03
  1.77588169449E-03  1.94470152001E-03  2.12663548320E-03  2.32261861713E-03
  2.53364908961E-03  2.76079211830E-03  3.00518415738E-03  3.26803749204E-03
  3.55064492069E-03  3.85438475105E-03  4.18072615631E-03  4.53123466407E-03
  4.90757817602E-03  5.31153301223E-03  5.74499059995E-03  6.20996421245E-03
  6.70859630936E-03  7.24316604580E-03  7.81609727574E-03  8.42996689638E-03
  9.08751359623E-03  9.79164696236E-03  1.05454571632E-02  1.13522247426E-02
  1.22154311591E-02  1.31387695467E-02  1.41261559469E-02  1.51817409617E-02
  1.63099218526E-02  1.75153549288E-02  1.88029684616E-02  2.01779758270E-02
  2.16458891090E-02  2.32125328504E-02  2.48840582401E-02  2.66669573824E-02
  2.85680777701E-02  3.05946368234E-02  3.27542365135E-02  3.50548777209E-02
  3.75049746694E-02  4.01133686917E-02  4.28893419411E-02  4.58426301206E-02
  4.89834346088E-02  5.23224335722E-02  5.58707917807E-02  5.96401689203E-02
  6.36427262532E-02  6.78911309489E-02  7.23985582127E-02  7.71786903159E-02
  8.22457125015E-02  8.76143050132E-02  9.32996308422E-02  9.93173185853E-02
  1.05683439755E-01  1.12414479844E-01  1.19527302481E-01  1.27039105672E-01
  1.34967369373E-01  1.43329793601E-01  1.52144225509E-01  1.61428575046E-01
  1.71200717438E-01  1.81478381635E-01  1.92279023117E-01  2.03619679956E-01
  2.15516810435E-01  2.27986110932E-01  2.41042312358E-01  2.54698953698E-01
  2.68968130967E-01  2.83860219928E-01  2.99383571291E-01  3.15544176287E-01
  3.32345301894E-01  3.49787093691E-01  3.67866145741E-01  3.86575036240E-01
  4.05901828391E-01  4.25829536422E-01  4.46335556538E-01  4.67391063961E-01
  4.88960377237E-01  5.11000291999E-01  5.33459387343E-01  5.56277308997E-01
  5.79384034759E-01  6.02699128834E-01  6.26130994008E-01  6.49576131515E-01
  6.72918421379E-01  6.96028437829E-01  7.18762817093E-01  7.40963697751E-01
  7.62458256765E-01  7.83058367721E-01  8.02560411236E-01  8.20745271190E-01
  8.37378554155E-01  8.52211073628E-01  8.64979643636E-01  8.75408230976E-01
  8.83209517822E-01  8.88086929428E-01  8.89737183827E-01  8.87853420996E-01
  8.82128968646E-01  8.72261799174E-01  8.57959727757E-01  8.38946393565E-01
  8.14968055125E-01  7.85801214729E-01  7.51261066673E-01  7.11210736633E-01
  6.65571246331E-01  6.14332095674E-01  5.57562304372E-01  4.95421694662E-01
  4.28172126322E-01  3.56188314086E-01  2.79967764328E-01  2.00139266302E-01
  1.17469260057E-01  3.28652852157E-02 -5.26244078324E-02 -1.37816121902E-01
 -2.21401999518E-01 -3.01968567965E-01 -3.78023832718E-01 -4.48034210631E-01
 -5.10472519111E-01 -5.63878059069E-01 -6.06929511500E-01 -6.38530870662E-01
 -6.57909912022E-01 -6.64727689293E-01 -6.59196211962E-01 -6.42199718013E-01
 -6.15412768803E-01 -5.81405717082E-01 -5.43724919346E-01 -5.06931413407E-01
 -4.76577768589E-01 -4.59098663197E-01 -4.61586850005E-01 -4.91423183531E-01
 -5.55728326835E-01 -6.60606157338E-01 -8.10157019780E-01 -1.00525609642E+00
 -1.24212294610E+00 -1.51075123478E+00 -1.79669940598E+00 -2.07426733936E+00
 -2.30779149917E+00 -2.45313392794E+00 -2.46128808086E+00 -2.28625540930E+00
 -1.89958860122E+00 -1.31535218102E+00 -6.28056108868E-01 -9.49502255883E-02
  7.48449619143E-03  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  </PP_BETA>
  <PP_DIJ>
    6                  Number of nonzero Dij
    1    1  2.49440091903E+00
    1    2  1.15266403924E-01
    2    2 -3.13299202399E-01
    3    3  5.83800879900E+01
    3    4 -4.27341041858E+01
    4    4  3.11301786573E+01
  </PP_DIJ>
  <PP_QIJ>
    8     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    <PP_RINNER>
    1  8.00000000000E-01
    2  8.00000000000E-01
    3  8.00000000000E-01
    </PP_RINNER>
    1    1    0        i  j  (l(j))
 -2.88649057760E-01    Q_int
  0.00000000000E+00 -3.19243217015E-10 -1.29889421659E-09 -2.97282405575E-09
 -5.37626139296E-09 -8.54584254079E-09 -1.25196632996E-08 -1.73373326352E-08
 -2.30400282638E-08 -2.96705542128E-08 -3.72734004251E-08 -4.58948044782E-08
 -5.55828154943E-08 -6.63873603146E-08 -7.83603120196E-08 -9.15555608770E-08
 -1.06029087800E-07 -1.21839040407E-07 -1.39045811769E-07 -1.57712121946E-07
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<PP_PSWFC>
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</PP_RHOATOM>
quantum-espresso-data 6.0-3 / usr / share / espresso / pseudo / O.pz-van_ak.UPF
