C_pbe_v1.2.uspp.F.UPF 276 KB
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<PP_INFO>
Generated using Vanderbilt code, version   7  3  6                              
Author: kfg        Generation date:    3    2 2014                              
Automatically converted from original format                                    
    0        The Pseudo was generated with a Non-Relativistic Calculation
  1.30000000000E+00    Local Potential cutoff radius
nl pn  l   occ               Rcut            Rcut US             E pseu
2S  2  0  2.00      0.00000000000      1.30000000000     -1.00977997800
2P  2  1  2.00      0.00000000000      1.30000000000     -0.38871106500
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  C                    Element
   US                  Ultrasoft pseudopotential
    T                  Nonlinear Core Correction
SLA  PW   PBE  PBE     PBE  Exchange-Correlation functional
    4.00000000000      Z valence
  -10.81268860050      Total energy
    0.00000    0.00000 Suggested cutoff for wfc and rho
    1                  Max angular momentum component
  721                  Number of points in mesh
    2    4             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       2S  0  2.00
                       2P  1  2.00
</PP_HEADER>


<PP_MESH>
  <PP_R>
  0.00000000000E+00  7.06180151333E-06  1.42443146680E-05  2.15496028610E-05
  2.89797647603E-05  3.65369349077E-05  4.42232843318E-05  5.20410211722E-05
  5.99923913133E-05  6.80796790299E-05  7.63052076433E-05  8.46713401887E-05
  9.31804800941E-05  1.01835071871E-04  1.10637601815E-04  1.19590598724E-04
  1.28696634621E-04  1.37958325492E-04  1.47378332043E-04  1.56959360459E-04
  1.66704163185E-04  1.76615539714E-04  1.86696337391E-04  1.96949452236E-04
  2.07377829770E-04  2.17984465864E-04  2.28772407599E-04  2.39744754143E-04
  2.50904657637E-04  2.62255324107E-04  2.73800014379E-04  2.85542045019E-04
  2.97484789285E-04  3.09631678098E-04  3.21986201022E-04  3.34551907273E-04
  3.47332406736E-04  3.60331371001E-04  3.73552534418E-04  3.86999695173E-04
  4.00676716373E-04  4.14587527163E-04  4.28736123849E-04  4.43126571050E-04
  4.57763002861E-04  4.72649624048E-04  4.87790711249E-04  5.03190614203E-04
  5.18853757007E-04  5.34784639377E-04  5.50987837948E-04  5.67468007585E-04
  5.84229882722E-04  6.01278278721E-04  6.18618093257E-04  6.36254307723E-04
  6.54191988661E-04  6.72436289222E-04  6.90992450638E-04  7.09865803737E-04
  7.29061770466E-04  7.48585865457E-04  7.68443697604E-04  7.88640971677E-04
  8.09183489964E-04  8.30077153930E-04  8.51327965923E-04  8.72942030889E-04
  8.94925558131E-04  9.17284863090E-04  9.40026369163E-04  9.63156609543E-04
  9.86682229102E-04  1.01060998630E-03  1.03494675510E-03  1.05969952701E-03
  1.08487541301E-03  1.11048164564E-03  1.13652558108E-03  1.16301470125E-03
  1.18995661596E-03  1.21735906511E-03  1.24522992088E-03  1.27357719003E-03
  1.30240901618E-03  1.33173368217E-03  1.36155961239E-03  1.39189537527E-03
  1.42274968567E-03  1.45413140745E-03  1.48604955597E-03  1.51851330069E-03
  1.55153196782E-03  1.58511504299E-03  1.61927217395E-03  1.65401317340E-03
  1.68934802175E-03  1.72528687002E-03  1.76184004274E-03  1.79901804094E-03
  1.83683154513E-03  1.87529141840E-03  1.91440870953E-03  1.95419465616E-03
  1.99466068802E-03  2.03581843021E-03  2.07767970658E-03  2.12025654304E-03
  2.16356117109E-03  2.20760603133E-03  2.25240377699E-03  2.29796727758E-03
  2.34430962263E-03  2.39144412539E-03  2.43938432670E-03  2.48814399884E-03
  2.53773714952E-03  2.58817802591E-03  2.63948111868E-03  2.69166116622E-03
  2.74473315885E-03  2.79871234313E-03  2.85361422623E-03  2.90945458039E-03
  2.96624944748E-03  3.02401514356E-03  3.08276826360E-03  3.14252568623E-03
  3.20330457859E-03  3.26512240130E-03  3.32799691342E-03  3.39194617757E-03
  3.45698856514E-03  3.52314276156E-03  3.59042777163E-03  3.65886292505E-03
  3.72846788191E-03  3.79926263836E-03  3.87126753238E-03  3.94450324956E-03
  4.01899082913E-03  4.09475166991E-03  4.17180753653E-03  4.25018056564E-03
  4.32989327232E-03  4.41096855646E-03  4.49342970944E-03  4.57730042075E-03
  4.66260478481E-03  4.74936730793E-03  4.83761291529E-03  4.92736695815E-03
  5.01865522111E-03  5.11150392953E-03  5.20593975703E-03  5.30198983321E-03
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  <PP_BETA>
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  1.01302180175E-02  1.32564186286E-02  1.66468351189E-02  2.03177101638E-02
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  4.34957534821E-02  4.92289486977E-02  5.53753214026E-02  6.19563497995E-02
  6.89940398119E-02  7.65108655778E-02  8.45297036532E-02  9.30737491108E-02
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  4.29778589293E-01  4.54096432583E-01  4.79064904515E-01  5.04631509831E-01
  5.30733785069E-01  5.57298505948E-01  5.84240889058E-01  6.11463804953E-01
  6.38857012812E-01  6.66296435065E-01  6.93643486783E-01  7.20744486455E-01
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  8.46073772161E-01  8.67583551875E-01  8.87328620641E-01  9.05032412300E-01
  9.20406704667E-01  9.33153754141E-01  9.42968964876E-01  9.49544158532E-01
  9.52571489557E-01  9.51748065604E-01  9.46781313161E-01  9.37395125008E-01
  9.23336812469E-01  9.04384868109E-01  8.80357515425E-01  8.51122004448E-01
  8.16604562167E-01  7.76800870352E-01  7.31786889363E-01  6.81729776832E-01
  6.26898584264E-01  5.67674326102E-01  5.04558918782E-01  4.38182391094E-01
  3.69307645305E-01  2.98831938279E-01  2.27784132113E-01  1.57316647535E-01
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  3.36882275954E-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  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  1.29495226872E-01
    1    2  2.93161471602E+00
    2    2 -4.56677996896E+00
    3    3  1.10826655690E+01
    3    4 -1.28746398740E+01
    4    4  1.46062450377E+01
  </PP_DIJ>
  <PP_QIJ>
    8     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    <PP_RINNER>
    1  1.10000000000E+00
    2  1.10000000000E+00
    3  1.10000000000E+00
    </PP_RINNER>
    1    1    0        i  j  (l(j))
 -4.48921494178E-01    Q_int
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