File: Re_pbe_v1.2.uspp.F.UPF

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quantum-espresso-data-sssp 1.3.0-3
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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                                    
    1        The Pseudo was generated with a Scalar-Relativistic Calculation
  1.60000000000E+00    Local Potential cutoff radius
nl pn  l   occ               Rcut            Rcut US             E pseu
5S  5  0  2.00      0.00000000000      1.45000000000     -6.63652733400
5P  5  1  6.00      0.00000000000      1.50000000000     -3.82053160700
5D  5  2  4.50      0.00000000000      1.60000000000     -0.72652424600
6S  6  0  2.00      0.00000000000      1.45000000000     -0.70904410700
6P  6  1  0.00      0.00000000000      1.50000000000     -0.31203746500
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  Re                   Element
   US                  Ultrasoft pseudopotential
    T                  Nonlinear Core Correction
SLA  PW   PBE  PBE     PBE  Exchange-Correlation functional
   15.00000000000      Z valence
 -189.53578563600      Total energy
    0.00000    0.00000 Suggested cutoff for wfc and rho
    3                  Max angular momentum component
  981                  Number of points in mesh
    5    8             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       5S  0  2.00
                       5P  1  6.00
                       5D  2  4.50
                       6S  0  2.00
                       6P  1  0.00
</PP_HEADER>


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  <PP_BETA>
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  <PP_BETA>
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  <PP_BETA>
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  5.47856337178E-13  5.93728682733E-13  6.43046595797E-13  6.96061239907E-13
  7.53042080691E-13  8.14267639523E-13  8.80048618565E-13  9.50710327226E-13
  1.02659393166E-12  1.10808050936E-12  1.19556863335E-12  1.28948323452E-12
  1.39028445351E-12  1.49845690117E-12  1.61454279131E-12  1.73905934041E-12
  1.87265889626E-12  2.01595603784E-12  2.16963567128E-12  2.33444202809E-12
  2.51116037895E-12  2.70061894258E-12  2.90373962943E-12  3.12146494921E-12
  3.35483586939E-12  3.60495456058E-12  3.87298810583E-12  4.16021165140E-12
  4.46796589519E-12  4.79771237386E-12  5.15093174803E-12  5.52935204711E-12
  5.93471395864E-12  6.36888273617E-12  6.83389026678E-12  7.33191536485E-12
  7.86523863312E-12  8.43634550656E-12  9.04789543194E-12  9.70268137422E-12
  1.04037409708E-11  1.11543248570E-11  1.19578678435E-11  1.28180526414E-11
  1.37389239431E-11  1.47245305574E-11  1.57796015951E-11  1.69088185381E-11
  1.81174554030E-11  1.94109617467E-11  2.07953039174E-11  2.22767926664E-11
  2.38621618184E-11  2.55587037099E-11  2.73740673955E-11  2.93165919097E-11
  3.13951111957E-11  3.36190114266E-11  3.59984701116E-11  3.85443363471E-11
  4.12679457893E-11  4.41819652379E-11  4.72993677026E-11  5.06344262400E-11
  5.42021380803E-11  5.80187321462E-11  6.21014240321E-11  6.64687101034E-11
  7.11403438170E-11  7.61373629176E-11  8.14824162848E-11  8.71995975710E-11
  9.33146713718E-11  9.98552580017E-11  1.06850957206E-10  1.14332938998E-10
  1.22335318705E-10  1.30893960534E-10  1.40047391176E-10  1.49836782689E-10
  1.60306241339E-10  1.71502858855E-10  1.83476852334E-10  1.96282254609E-10
  2.09976365262E-10  2.24620928885E-10  2.40281530468E-10  2.57028588894E-10
  2.74937252467E-10  2.94088032131E-10  3.14566280844E-10  3.36464667863E-10
  3.59880817971E-10  3.84919939011E-10  4.11694180146E-10  4.40323551237E-10
  4.70936353971E-10  5.03669720341E-10  5.38670197005E-10  5.76094541202E-10
  6.16110320104E-10  6.58896676191E-10  7.04645025029E-10  7.53560124254E-10
  8.05861092814E-10  8.61780894243E-10  9.21571141322E-10  9.85498005534E-10
  1.05384793758E-09  1.12692621212E-09  1.20505966840E-09  1.28859738430E-09
  1.37791288018E-09  1.47340501643E-09  1.57550053470E-09  1.68465552607E-09
  1.80135777717E-09  1.92612791648E-09  2.05952382722E-09  2.20214095782E-09
  2.35461513439E-09  2.51762880428E-09  2.69190829236E-09  2.87823210169E-09
  3.07743143998E-09  3.29039562913E-09  3.51807474973E-09  3.76148471362E-09
  4.02171171620E-09  4.29991623582E-09  4.59733990838E-09  4.91530875664E-09
  5.25524150622E-09  5.61865374621E-09  6.00716647627E-09  6.42251285155E-09
  6.86654175346E-09  7.34123773496E-09  7.84871340352E-09  8.39123260407E-09
  8.97121379224E-09  9.59124184830E-09  1.02540807976E-08  1.09626846498E-08
  1.17202113776E-08  1.25300380715E-08  1.33957718473E-08  1.43212719654E-08
  1.53106618672E-08  1.63683497245E-08  1.74990498531E-08  1.87077950126E-08
  1.99999768434E-08  2.13813475948E-08  2.28580620453E-08  2.44366985018E-08
  2.61242891326E-08  2.79283493126E-08  2.98569167395E-08  3.19185796815E-08
  3.41225199478E-08  3.64785541110E-08  3.89971740044E-08  4.16895961253E-08
  4.45678100251E-08  4.76446343971E-08  5.09337637767E-08  5.44498535279E-08
  5.82085519910E-08  6.22265993716E-08  6.65218819845E-08  7.11135280089E-08
  7.60219763940E-08  8.12690839752E-08  8.68782068725E-08  9.28743193324E-08
  9.92841152957E-08  1.06136125948E-07  1.13460857021E-07  1.21290913676E-07
  1.29661154302E-07  1.38608827646E-07  1.48173776797E-07  1.58398567446E-07
  1.69328716402E-07  1.81012871597E-07  1.93503043109E-07  2.06854818567E-07
  2.21127632231E-07  2.36385003234E-07  2.52694845355E-07  2.70129742680E-07
  2.88767298378E-07  3.08690455410E-07  3.29987887380E-07  3.52754384173E-07
  3.77091246431E-07  4.03106815993E-07  4.30916849104E-07  4.60645121961E-07
  4.92423934372E-07  5.26394706889E-07  5.62708631374E-07  6.01527301928E-07
  6.43023485328E-07  6.87381836958E-07  7.34799771751E-07  7.85488306586E-07
  8.39673009659E-07  8.97595027641E-07  9.59512119285E-07  1.02569981182E-06
  1.09645267584E-06  1.17208557530E-06  1.25293507297E-06  1.33936098608E-06
  1.43174790675E-06  1.53050703272E-06  1.63607779088E-06  1.74893003227E-06
  1.86956605267E-06  1.99852257598E-06  2.13637368093E-06  2.28373267570E-06
  2.44125556164E-06  2.60964319395E-06  2.78964518374E-06  2.98206243601E-06
  3.18775153346E-06  3.40762770993E-06  3.64266981252E-06  3.89392369570E-06
  4.16250792149E-06  4.44961772181E-06  4.75653106329E-06  5.08461420127E-06
  5.43532716767E-06  5.81023142241E-06  6.21099540945E-06  6.63940345904E-06
  7.09736225798E-06  7.58691082031E-06  8.11022810843E-06  8.66964419825E-06
  9.26764917864E-06  9.90690582035E-06  1.05902597549E-05  1.13207539383E-05
  1.21016404723E-05  1.29363964394E-05  1.38287389956E-05  1.47826412163E-05
  1.58023513439E-05  1.68924098288E-05  1.80576717039E-05  1.93033258839E-05
  2.06349208132E-05  2.20583867222E-05  2.35800644899E-05  2.52067315183E-05
  2.69456345778E-05  2.88045192937E-05  3.07916677018E-05  3.29159323941E-05
  3.51867780959E-05  3.76143234104E-05  4.02093846091E-05  4.29835267956E-05
  4.59491119446E-05  4.91193580536E-05  5.25083940848E-05  5.61313272865E-05
  6.00043064673E-05  6.41445984767E-05  6.85706609286E-05  7.33022293680E-05
  7.83604006557E-05  8.37677322484E-05  8.95483384948E-05  9.57280017786E-05
  1.02334287101E-04  1.09396663262E-04  1.16946639083E-04  1.25017898920E-04
  1.33646459668E-04  1.42870825390E-04  1.52732166575E-04  1.63274497714E-04
  1.74544881343E-04  1.86593631811E-04  1.99474548442E-04  2.13245148417E-04
  2.27966933030E-04  2.43705655728E-04  2.60531622801E-04  2.78520006709E-04
  2.97751180442E-04  3.18311085309E-04  3.40291607128E-04  3.63790999014E-04
  3.88914312009E-04  4.15773877448E-04  4.44489800242E-04  4.75190510265E-04
  5.08013326839E-04  5.43105088437E-04  5.80622799368E-04  6.20734349224E-04
  6.63619253452E-04  7.09469471530E-04  7.58490265779E-04  8.10901118602E-04
  8.66936732581E-04  9.26848068361E-04  9.90903491384E-04  1.05938995997E-03
  1.13261433338E-03  1.21090473348E-03  1.29461203747E-03  1.38411143614E-03
  1.47980413906E-03  1.58211915720E-03  1.69151524896E-03  1.80848296199E-03
  1.93354684780E-03  2.06726781185E-03  2.21024561832E-03  2.36312159878E-03
  2.52658149824E-03  2.70135857081E-03  2.88823683216E-03  3.08805458902E-03
  3.30170815252E-03  3.53015586343E-03  3.77442232927E-03  4.03560301221E-03
  4.31486905853E-03  4.61347252796E-03  4.93275189593E-03  5.27413799463E-03
  5.63916030725E-03  6.02945367961E-03  6.44676551955E-03  6.89296339971E-03
  7.37004324045E-03  7.88013793817E-03  8.42552664791E-03  9.00864455943E-03
  9.63209340924E-03  1.02986525440E-02  1.10112907980E-02  1.17731789920E-02
  1.25877033218E-02  1.34584794500E-02  1.43893675468E-02  1.53844881691E-02
  1.64482390619E-02  1.75853130087E-02  1.88007165716E-02  2.00997900208E-02
  2.14882281904E-02  2.29721026136E-02  2.45578846271E-02  2.62524698086E-02
  2.80632034327E-02  2.99979072696E-02  3.20649074226E-02  3.42730634899E-02
  3.66317987318E-02  3.91511314739E-02  4.18417074855E-02  4.47148333030E-02
  4.77825105294E-02  5.10574706576E-02  5.45532106546E-02  5.82840286469E-02
  6.22650598797E-02  6.65123122049E-02  7.10427011545E-02  7.58740836847E-02
  8.10252905496E-02  8.65161561765E-02  9.23675458199E-02  9.86013786586E-02
  1.05240646299E-01  1.12309425256E-01  1.19832882178E-01  1.27837270570E-01
  1.36349916862E-01  1.45399194513E-01  1.55014483302E-01  1.65226112076E-01
  1.76065281453E-01  1.87563964121E-01  1.99754778524E-01  2.12670832817E-01
  2.26345534028E-01  2.40812358412E-01  2.56104576998E-01  2.72254931228E-01
  2.89295251842E-01  3.07256014235E-01  3.26165823133E-01  3.46050817752E-01
  3.66933989741E-01  3.88834403598E-01  4.11766310884E-01  4.35738146888E-01
  4.60751400249E-01  4.86799343538E-01  5.13865614980E-01  5.41922639344E-01
  5.70929878716E-01  6.00831902332E-01  6.31556267936E-01  6.63011207051E-01
  6.95083109711E-01  7.27633807399E-01  7.60497655431E-01  7.93478422766E-01
  8.26346000876E-01  8.58832952716E-01  8.90630928947E-01  9.21386991163E-01
  9.50699890849E-01  9.78116368932E-01  1.00312755317E+00  1.02516555031E+00
  1.04360034545E+00  1.05773714354E+00  1.06681430618E+00  1.07000205851E+00
  1.06640216090E+00  1.05504875546E+00  1.03491061258E+00  1.00489500502E+00
  9.63853435427E-01  9.10589419276E-01  8.43868488197E-01  7.62430506350E-01
  6.65004290838E-01  5.50324370921E-01  4.17149510286E-01  2.64282322159E-01
  8.73503726227E-02 -8.74290915062E-02 -2.60123202445E-01 -4.28372790878E-01
 -5.89520387923E-01 -7.40600542191E-01 -8.78366062399E-01 -9.99309302547E-01
 -1.09973242688E+00 -1.17582698300E+00 -1.22382228943E+00 -1.24016772345E+00
 -1.22181475188E+00 -1.16657320815E+00 -1.07361621486E+00 -9.44123826027E-01
 -7.82152807596E-01 -5.95746718404E-01 -3.98392614728E-01 -2.10892407056E-01
 -6.36108106924E-02 -9.35619228336E-04 -1.33095815996E-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
  </PP_BETA>
  <PP_DIJ>
   12                  Number of nonzero Dij
    1    1 -4.01735195596E+00
    1    2  1.16264576228E+00
    2    2 -7.21819553788E+00
    3    3 -4.34531501732E+00
    3    4  9.54172839185E-01
    4    4  9.68959118065E+00
    5    5  7.67976161291E-01
    5    6  4.29133487664E+00
    6    6  4.94142830135E+00
    7    7  8.15422459271E+00
    7    8 -1.24935472976E+01
    8    8  2.04131080966E+01
  </PP_DIJ>
  <PP_QIJ>
    8     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    <PP_RINNER>
    1  1.15000000000E+00
    2  1.15000000000E+00
    3  1.15000000000E+00
    4  1.15000000000E+00
    5  1.15000000000E+00
    6  1.15000000000E+00
    7  1.15000000000E+00
    </PP_RINNER>
    1    1    0        i  j  (l(j))
 -4.68125289186E-01    Q_int
  0.00000000000E+00 -4.83263281132E-13 -1.96567715303E-12 -4.49762470120E-12
 -8.13147433769E-12 -1.29216517592E-11 -1.89247144227E-11 -2.61994286247E-11
 -3.48068492748E-11 -4.48104024553E-11 -5.62759708628E-11 -6.92719822314E-11
 -8.38695008397E-11 -1.00142322207E-10 -1.18167071089E-10 -1.38023302888E-10
 -1.59793608590E-10 -1.83563723352E-10 -2.09422638874E-10 -2.37462719664E-10
 -2.67779823357E-10 -3.00473425200E-10 -3.35646746866E-10 -3.73406889740E-10
 -4.13864972823E-10 -4.57136275418E-10 -5.03340384772E-10 -5.52601348814E-10
 -6.05047834208E-10 -6.60813289853E-10 -7.20036116065E-10 -7.82859839591E-10
 -8.49433294697E-10 -9.19910810495E-10 -9.94452404768E-10 -1.07322398447E-09
 -1.15639755316E-09 -1.24415142563E-09 -1.33667044984E-09 -1.43414623666E-09
 -1.53677739742E-09 -1.64476978971E-09 -1.75833677160E-09 -1.87769946470E-09
 -2.00308702622E-09 -2.13473693044E-09 -2.27289525985E-09 -2.41781700629E-09
 -2.56976638254E-09 -2.72901714455E-09 -2.89585292477E-09 -3.07056757700E-09
 -3.25346553299E-09 -3.44486217143E-09 -3.64508419952E-09 -3.85447004768E-09
 -4.07337027784E-09 -4.30214800575E-09 -4.54117933772E-09 -4.79085382251E-09
 -5.05157491851E-09 -5.32376047719E-09 -5.60784324293E-09 -5.90427137013E-09
 -6.21350895797E-09 -6.53603660359E-09 -6.87235197415E-09 -7.22297039852E-09
 -7.58842547930E-09 -7.96926972573E-09 -8.36607520832E-09 -8.77943423592E-09
 -9.20996005594E-09 -9.65828757852E-09 -1.01250741256E-08 -1.06110002054E-08
 -1.11167703139E-08 -1.16431137628E-08 -1.21907855371E-08 -1.27605671808E-08
 -1.33532677136E-08 -1.39697245786E-08 -1.46108046230E-08 -1.52774051113E-08
 -1.59704547739E-08 -1.66909148916E-08 -1.74397804165E-08 -1.82180811318E-08
 -1.90268828511E-08 -1.98672886584E-08 -2.07404401905E-08 -2.16475189639E-08
 -2.25897477455E-08 -2.35683919719E-08 -2.45847612157E-08 -2.56402107026E-08
 -2.67361428800E-08 -2.78740090393E-08 -2.90553109935E-08 -3.02816028116E-08
 -3.15544926131E-08 -3.28756444228E-08 -3.42467800893E-08 -3.56696812688E-08
 -3.71461914766E-08 -3.86782182086E-08 -4.02677351350E-08 -4.19167843685E-08
 -4.36274788109E-08 -4.54020045781E-08 -4.72426235090E-08 -4.91516757592E-08
 -5.11315824835E-08 -5.31848486096E-08 -5.53140657060E-08 -5.75219149484E-08
 -5.98111701861E-08 -6.21847011135E-08 -6.46454765496E-08 -6.71965678290E-08
 -6.98411523082E-08 -7.25825169916E-08 -7.54240622809E-08 -7.83693058520E-08
 -8.14218866638E-08 -8.45855691036E-08 -8.78642472738E-08 -9.12619494239E-08
 -9.47828425340E-08 -9.84312370536E-08 -1.02211591802E-07 -1.06128519036E-07
 -1.10186789689E-07 -1.14391338788E-07 -1.18747271057E-07 -1.23259866708E-07
 -1.27934587433E-07 -1.32777082595E-07 -1.37793195633E-07 -1.42988970683E-07
 -1.48370659427E-07 -1.53944728169E-07 -1.59717865160E-07 -1.65696988165E-07
 -1.71889252287E-07 -1.78302058066E-07 -1.84943059842E-07 -1.91820174409E-07
 -1.98941589961E-07 -2.06315775343E-07 -2.13951489617E-07 -2.21857791950E-07
 -2.30044051840E-07 -2.38519959692E-07 -2.47295537751E-07 -2.56381151403E-07
 -2.65787520868E-07 -2.75525733282E-07 -2.85607255196E-07 -2.96043945498E-07
 -3.06848068767E-07 -3.18032309096E-07 -3.29609784367E-07 -3.41594061025E-07
 -3.53999169342E-07 -3.66839619213E-07 -3.80130416476E-07 -3.93887079793E-07
 -4.08125658102E-07 -4.22862748664E-07 -4.38115515718E-07 -4.53901709779E-07
 -4.70239687579E-07 -4.87148432695E-07 -5.04647576873E-07 -5.22757422078E-07
 -5.41498963288E-07 -5.60893912071E-07 -5.80964720955E-07 -6.01734608625E-07
 -6.23227585982E-07 -6.45468483080E-07 -6.68482976983E-07 -6.92297620562E-07
 -7.16939872276E-07 -7.42438126956E-07 -7.68821747643E-07 -7.96121098500E-07
 -8.24367578845E-07 -8.53593658336E-07 -8.83832913351E-07 -9.15120064609E-07
 -9.47491016056E-07 -9.80982895082E-07 -1.01563409410E-06 -1.05148431352E-06
 -1.08857460622E-06 -1.12694742348E-06 -1.16664666252E-06 -1.20771771561E-06
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  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_RHOATOM>