quantum-espresso-data 6.0-3 / usr / share / espresso / pseudo / C.pbe-mt_gipaw.UPF

<PP_INFO>
Generated using "atomic" code by A. Dal Corso  (espresso distribution)     
Author: Matteo Calandra   Generation date:  3Apr2008                            
C                                                                          
    1        The Pseudo was generated with a Scalar-Relativistic Calculation
    1 1.5000000E+00    L component and cutoff radius for Local Potential
nl pn  l   occ               Rcut            Rcut US             E pseu
2S  1  0  2.00      1.50000000000      1.50000000000     -1.42411877197
2P  2  1  1.50      1.50000000000      1.50000000000     -0.78795211864
</PP_INFO>


<PP_HEADER>
   0                   Version Number
   C                   Element
   NC                  Norm - Conserving pseudopotential
    F                  Nonlinear Core Correction
 SLA  PW   PBX  PBC    PBE  Exchange-Correlation functional
    4.00000000000      Z valence
  -10.44139757378      Total energy
      0.000      0.000 Suggested cutoff for wfc and rho
    1                  Max angular momentum component
 1073                  Number of points in mesh
    4    1             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       2S  0  2.00
                       3S  0  0.00
                       2P  1  1.50
                       3P  1  0.00
</PP_HEADER>


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  6.81178077285E-01  6.78416282102E-01  6.65178859656E-01  6.42144696979E-01
  6.10175738539E-01  5.70315066772E-01  5.23780162068E-01  4.71950512725E-01
  4.16348651246E-01  3.58613580944E-01  3.00465422247E-01  2.43659947884E-01
  1.89931487564E-01  1.40922464713E-01  9.80975814573E-02  6.26403974163E-02
  3.53297608894E-02  1.63932589923E-02  5.33457041256E-03  7.31344451872E-04
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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
    1.50  1.50
  2S
  </PP_BETA>
  <PP_DIJ>
    1                  Number of nonzero Dij
    1    1  1.06488053237E+00
  </PP_DIJ>
</PP_NONLOCAL>


<PP_PSWFC>
2S    0  2.00          Wavefunction
  1.17461068605E-04  1.18938546978E-04  1.20434609742E-04  1.21949490660E-04
  1.23483426434E-04  1.25036656746E-04  1.26609424290E-04  1.28201974816E-04
  1.29814557162E-04  1.31447423297E-04  1.33100828361E-04  1.34775030701E-04
  1.36470291914E-04  1.38186876890E-04  1.39925053847E-04  1.41685094380E-04
  1.43467273498E-04  1.45271869671E-04  1.47099164870E-04  1.48949444615E-04
  1.50822998014E-04  1.52720117816E-04  1.54641100448E-04  1.56586246068E-04
  1.58555858609E-04  1.60550245828E-04  1.62569719350E-04  1.64614594724E-04
  1.66685191465E-04  1.68781833109E-04  1.70904847259E-04  1.73054565641E-04
  1.75231324154E-04  1.77435462919E-04  1.79667326340E-04  1.81927263147E-04
  1.84215626463E-04  1.86532773847E-04  1.88879067360E-04  1.91254873614E-04
  1.93660563834E-04  1.96096513914E-04  1.98563104477E-04  2.01060720932E-04
  2.03589753537E-04  2.06150597459E-04  2.08743652835E-04  2.11369324835E-04
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  3.19292297817E-04  3.23308500794E-04  3.27375221395E-04  3.31493095056E-04
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  3.52872564595E-04  3.57311155428E-04  3.61805576876E-04  3.66356531200E-04
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  4.53097354116E-04  4.58796618031E-04  4.64567569892E-04  4.70411111422E-04
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  5.00750026491E-04  5.07048687517E-04  5.13426575986E-04  5.19884688460E-04
  5.26424034034E-04  5.33045634495E-04  5.39750524485E-04  5.46539751658E-04
  5.53414376848E-04  5.60375474232E-04  5.67424131499E-04  5.74561450016E-04
  5.81788545010E-04  5.89106545730E-04  5.96516595632E-04  6.04019852556E-04
  6.11617488903E-04  6.19310691823E-04  6.27100663399E-04  6.34988620833E-04
  6.42975796639E-04  6.51063438833E-04  6.59252811131E-04  6.67545193142E-04
  6.75941880572E-04  6.84444185427E-04  6.93053436213E-04  7.01770978149E-04
  7.10598173373E-04  7.19536401159E-04  7.28587058128E-04  7.37751558470E-04
  7.47031334163E-04  7.56427835198E-04  7.65942529803E-04  7.75576904675E-04
  7.85332465213E-04  7.95210735751E-04  8.05213259796E-04  8.15341600270E-04
  8.25597339757E-04  8.35982080744E-04  8.46497445878E-04  8.57145078216E-04
  8.67926641481E-04  8.78843820325E-04  8.89898320590E-04  9.01091869574E-04
  9.12426216304E-04  9.23903131807E-04  9.35524409386E-04  9.47291864902E-04
  9.59207337056E-04  9.71272687680E-04  9.83489802024E-04  9.95860589050E-04
  1.00838698174E-03  1.02107093737E-03  1.03391443786E-03  1.04691949006E-03
  1.06008812603E-03  1.07342240344E-03  1.08692440580E-03  1.10059624285E-03
  1.11444005086E-03  1.12845799298E-03  1.14265225957E-03  1.15702506852E-03
  1.17157866564E-03  1.18631532500E-03  1.20123734923E-03  1.21634706998E-03
  1.23164684819E-03  1.24713907451E-03  1.26282616967E-03  1.27871058483E-03
  1.29479480200E-03  1.31108133441E-03  1.32757272689E-03  1.34427155630E-03
  1.36118043190E-03  1.37830199577E-03  1.39563892323E-03  1.41319392326E-03
  1.43096973890E-03  1.44896914771E-03  1.46719496217E-03  1.48565003016E-03
  1.50433723538E-03  1.52325949778E-03  1.54241977406E-03  1.56182105812E-03
  1.58146638150E-03  1.60135881388E-03  1.62150146356E-03  1.64189747794E-03
  1.66255004401E-03  1.68346238884E-03  1.70463778009E-03  1.72607952656E-03
  1.74779097863E-03  1.76977552884E-03  1.79203661241E-03  1.81457770777E-03
  1.83740233711E-03  1.86051406691E-03  1.88391650852E-03  1.90761331875E-03
  1.93160820035E-03  1.95590490270E-03  1.98050722232E-03  2.00541900349E-03
  2.03064413886E-03  2.05618657003E-03  2.08205028820E-03  2.10823933475E-03
  2.13475780194E-03  2.16160983347E-03  2.18879962519E-03  2.21633142572E-03
  2.24420953713E-03  2.27243831559E-03  2.30102217211E-03  2.32996557316E-03
  2.35927304139E-03  2.38894915635E-03  2.41899855523E-03  2.44942593351E-03
  2.48023604576E-03  2.51143370636E-03  2.54302379026E-03  2.57501123372E-03
  2.60740103511E-03  2.64019825568E-03  2.67340802035E-03  2.70703551850E-03
  2.74108600481E-03  2.77556480005E-03  2.81047729195E-03  2.84582893598E-03
  2.88162525627E-03  2.91787184645E-03  2.95457437050E-03  2.99173856366E-03
  3.02937023333E-03  3.06747525996E-03  3.10605959800E-03  3.14512927678E-03
  3.18469040151E-03  3.22474915418E-03  3.26531179459E-03  3.30638466127E-03
  3.34797417249E-03  3.39008682729E-03  3.43272920645E-03  3.47590797356E-03
  3.51962987604E-03  3.56390174621E-03  3.60873050233E-03  3.65412314971E-03
  3.70008678181E-03  3.74662858132E-03  3.79375582131E-03  3.84147586635E-03
  3.88979617367E-03  3.93872429433E-03  3.98826787440E-03  4.03843465614E-03
  4.08923247924E-03  4.14066928202E-03  4.19275310268E-03  4.24549208057E-03
  4.29889445745E-03  4.35296857878E-03  4.40772289502E-03  4.46316596298E-03
  4.51930644713E-03  4.57615312095E-03  4.63371486836E-03  4.69200068502E-03
  4.75101967981E-03  4.81078107624E-03  4.87129421387E-03  4.93256854979E-03
  4.99461366010E-03  5.05743924140E-03  5.12105511233E-03  5.18547121507E-03
  5.25069761693E-03  5.31674451191E-03  5.38362222231E-03  5.45134120031E-03
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3S    0  0.00          Wavefunction
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  1.69402375426E-30  6.90033370629E-31  2.77871297898E-31  1.10605737655E-31
  4.35119534855E-32  1.69150098124E-32  6.49686220971E-33  2.46511368036E-33
  9.23858540914E-34  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00  0.00000000000E+00
  0.00000000000E+00
3P    1  0.00          Wavefunction
  1.50430739561E-08  1.54238911739E-08  1.58143488248E-08  1.62146909575E-08
  1.66251677989E-08  1.70460359102E-08  1.74775583477E-08  1.79200048269E-08
  1.83736518912E-08  1.88387830847E-08  1.93156891295E-08  1.98046681073E-08
  2.03060256457E-08  2.08200751096E-08  2.13471377965E-08  2.18875431375E-08
  2.24416289037E-08  2.30097414164E-08  2.35922357644E-08  2.41894760256E-08
  2.48018354944E-08  2.54296969153E-08  2.60734527220E-08  2.67335052827E-08
  2.74102671516E-08  2.81041613268E-08  2.88156215146E-08  2.95450924005E-08
  3.02930299274E-08  3.10599015806E-08  3.18461866794E-08  3.26523766776E-08
  3.34789754699E-08  3.43264997072E-08  3.51954791196E-08  3.60864568473E-08
  3.69999897799E-08  3.79366489052E-08  3.88970196653E-08  3.98817023228E-08
  4.08913123363E-08  4.19264807444E-08  4.29878545608E-08  4.40760971783E-08
  4.51918887836E-08  4.63359267824E-08  4.75089262353E-08  4.87116203046E-08
  4.99447607128E-08  5.12091182124E-08  5.25054830675E-08  5.38346655476E-08
  5.51974964347E-08  5.65948275418E-08  5.80275322456E-08  5.94965060326E-08
  6.10026670586E-08  6.25469567224E-08  6.41303402548E-08  6.57538073210E-08
  6.74183726400E-08  6.91250766185E-08  7.08749860011E-08  7.26691945371E-08
  7.45088236642E-08  7.63950232094E-08  7.83289721078E-08  8.03118791392E-08
  8.23449836837E-08  8.44295564965E-08  8.65669005022E-08  8.87583516088E-08
  9.10052795431E-08  9.33090887066E-08  9.56712190534E-08  9.80931469899E-08
  1.00576386298E-07  1.03122489082E-07  1.05733046735E-07  1.08409690941E-07
  1.11154094685E-07  1.13967973308E-07  1.16853085572E-07  1.19811234764E-07
  1.22844269821E-07  1.25954086485E-07  1.29142628491E-07  1.32411888776E-07
  1.35763910733E-07  1.39200789480E-07  1.42724673174E-07  1.46337764354E-07
  1.50042321316E-07  1.53840659522E-07  1.57735153055E-07  1.61728236093E-07
  1.65822404440E-07  1.70020217078E-07  1.74324297771E-07  1.78737336704E-07
  1.83262092163E-07  1.87901392262E-07  1.92658136707E-07  1.97535298611E-07
  2.02535926351E-07  2.07663145475E-07  2.12920160654E-07  2.18310257683E-07
  2.23836805539E-07  2.29503258486E-07  2.35313158231E-07  2.41270136139E-07
  2.47377915504E-07  2.53640313876E-07  2.60061245443E-07  2.66644723486E-07
  2.73394862877E-07  2.80315882659E-07  2.87412108680E-07  2.94687976296E-07
  3.02148033144E-07  3.09796941984E-07  3.17639483615E-07  3.25680559862E-07
  3.33925196637E-07  3.42378547086E-07  3.51045894806E-07  3.59932657146E-07
  3.69044388597E-07  3.78386784261E-07  3.87965683413E-07  3.97787073146E-07
  4.07857092119E-07  4.18182034387E-07  4.28768353344E-07  4.39622665746E-07
  4.50751755854E-07  4.62162579674E-07  4.73862269299E-07  4.85858137373E-07
  4.98157681658E-07  5.10768589722E-07  5.23698743741E-07  5.36956225430E-07
  5.50549321089E-07  5.64486526789E-07  5.78776553673E-07  5.93428333409E-07
  6.08451023767E-07  6.23854014346E-07  6.39646932441E-07  6.55839649061E-07
  6.72442285096E-07  6.89465217646E-07  7.06919086508E-07  7.24814800818E-07
  7.43163545880E-07  7.61976790148E-07  7.81266292401E-07  8.01044109086E-07
  8.21322601857E-07  8.42114445303E-07  8.63432634863E-07  8.85290494955E-07
  9.07701687302E-07  9.30680219467E-07  9.54240453613E-07  9.78397115476E-07
  1.00316530357E-06  1.02856049862E-06  1.05459857326E-06  1.08129580189E-06
  1.10866887094E-06  1.13673488923E-06  1.16551139867E-06  1.19501638527E-06
  1.22526829032E-06  1.25628602194E-06  1.28808896694E-06  1.32069700286E-06
  1.35413051044E-06  1.38841038637E-06  1.42355805630E-06  1.45959548828E-06
  1.49654520646E-06  1.53443030518E-06  1.57327446341E-06  1.61310195953E-06
  1.65393768651E-06  1.69580716748E-06  1.73873657167E-06  1.78275273077E-06
  1.82788315569E-06  1.87415605377E-06  1.92160034639E-06  1.97024568706E-06
  2.02012247994E-06  2.07126189888E-06  2.12369590682E-06  2.17745727586E-06
  2.23257960768E-06  2.28909735456E-06  2.34704584092E-06  2.40646128537E-06
  2.46738082338E-06  2.52984253046E-06  2.59388544596E-06  2.65954959748E-06
  2.72687602589E-06  2.79590681093E-06  2.86668509759E-06  2.93925512300E-06
  3.01366224410E-06  3.08995296600E-06  3.16817497103E-06  3.24837714855E-06
  3.33060962546E-06  3.41492379760E-06  3.50137236178E-06  3.59000934880E-06
  3.68089015716E-06  3.77407158768E-06  3.86961187902E-06  3.96757074407E-06
  4.06800940723E-06  4.17099064274E-06  4.27657881382E-06  4.38483991298E-06
  4.49584160318E-06  4.60965326016E-06  4.72634601578E-06  4.84599280248E-06
  4.96866839881E-06  5.09444947623E-06  5.22341464696E-06  5.35564451312E-06
  5.49122171710E-06  5.63023099322E-06  5.77275922062E-06  5.91889547762E-06
  6.06873109732E-06  6.22235972469E-06  6.37987737512E-06  6.54138249434E-06
  6.70697601998E-06  6.87676144466E-06  7.05084488059E-06  7.22933512592E-06
  7.41234373271E-06  7.59998507661E-06  7.79237642834E-06  7.98963802695E-06
  8.19189315496E-06  8.39926821535E-06  8.61189281058E-06  8.82989982352E-06
  9.05342550048E-06  9.28260953638E-06  9.51759516192E-06  9.75852923317E-06
  1.00055623233E-05  1.02588488164E-05  1.05185470045E-05  1.07848191859E-05
  1.10578317667E-05  1.13377553648E-05  1.16247649168E-05  1.19190397865E-05
  1.22207638778E-05  1.25301257490E-05  1.28473187309E-05  1.31725410472E-05
  1.35059959387E-05  1.38478917903E-05  1.41984422606E-05  1.45578664158E-05
  1.49263888667E-05  1.53042399083E-05  1.56916556645E-05  1.60888782346E-05
  1.64961558456E-05  1.69137430062E-05  1.73419006663E-05  1.77808963801E-05
  1.82310044726E-05  1.86925062114E-05  1.91656899822E-05  1.96508514689E-05
  2.01482938381E-05  2.06583279285E-05  2.11812724452E-05  2.17174541581E-05
  2.22672081068E-05  2.28308778088E-05  2.34088154747E-05  2.40013822279E-05
  2.46089483299E-05  2.52318934115E-05  2.58706067099E-05  2.65254873116E-05
  2.71969444016E-05  2.78853975184E-05  2.85912768167E-05  2.93150233349E-05
  3.00570892712E-05  3.08179382652E-05  3.15980456877E-05  3.23978989372E-05
  3.32179977439E-05  3.40588544817E-05  3.49209944879E-05  3.58049563910E-05
  3.67112924468E-05  3.76405688827E-05  3.85933662513E-05  3.95702797924E-05
  4.05719198044E-05  4.15989120248E-05  4.26518980208E-05  4.37315355892E-05
  4.48384991669E-05  4.59734802511E-05  4.71371878312E-05  4.83303488303E-05
  4.95537085586E-05  5.08080311785E-05  5.20941001805E-05  5.34127188720E-05
  5.47647108779E-05  5.61509206542E-05  5.75722140140E-05  5.90294786676E-05
  6.05236247754E-05  6.20555855151E-05  6.36263176633E-05  6.52368021917E-05
  6.68880448781E-05  6.85810769330E-05  7.03169556423E-05  7.20967650251E-05
  7.39216165098E-05  7.57926496255E-05  7.77110327118E-05  7.96779636466E-05
  8.16946705913E-05  8.37624127559E-05  8.58824811823E-05  8.80561995482E-05
  9.02849249909E-05  9.25700489513E-05  9.49129980403E-05  9.73152349257E-05
  9.97782592424E-05  1.02303608525E-04  1.04892859165E-04  1.07547627387E-04
  1.10269570261E-04  1.13060386724E-04  1.15921818643E-04  1.18855651892E-04
  1.21863717466E-04  1.24947892617E-04  1.28110102018E-04  1.31352318963E-04
  1.34676566588E-04  1.38084919129E-04  1.41579503210E-04  1.45162499162E-04
  1.48836142376E-04  1.52602724693E-04  1.56464595820E-04  1.60424164792E-04
  1.64483901465E-04  1.68646338046E-04  1.72914070661E-04  1.77289760970E-04
  1.81776137809E-04  1.86375998884E-04  1.91092212504E-04  1.95927719355E-04
  2.00885534322E-04  2.05968748352E-04  2.11180530372E-04  2.16524129241E-04
  2.22002875766E-04  2.27620184758E-04  2.33379557143E-04  2.39284582124E-04
  2.45338939399E-04  2.51546401433E-04  2.57910835787E-04  2.64436207505E-04
  2.71126581556E-04  2.77986125347E-04  2.85019111287E-04  2.92229919423E-04
  2.99623040137E-04  3.07203076911E-04  3.14974749159E-04  3.22942895136E-04
  3.31112474909E-04  3.39488573408E-04  3.48076403551E-04  3.56881309449E-04
  3.65908769682E-04  3.75164400665E-04  3.84653960094E-04  3.94383350474E-04
  4.04358622738E-04  4.14585979952E-04  4.25071781116E-04  4.35822545051E-04
  4.46844954389E-04  4.58145859654E-04  4.69732283451E-04  4.81611424751E-04
  4.93790663284E-04  5.06277564039E-04  5.19079881873E-04  5.32205566237E-04
  5.45662766009E-04  5.59459834452E-04  5.73605334292E-04  5.88108042916E-04
  6.02976957700E-04  6.18221301464E-04  6.33850528058E-04  6.49874328090E-04
  6.66302634783E-04  6.83145629984E-04  7.00413750307E-04  7.18117693434E-04
  7.36268424560E-04  7.54877183000E-04  7.73955488949E-04  7.93515150402E-04
  8.13568270254E-04  8.34127253548E-04  8.55204814915E-04  8.76813986179E-04
  8.98968124152E-04  9.21680918605E-04  9.44966400436E-04  9.68838950026E-04
  9.93313305793E-04  1.01840457295E-03  1.04412823248E-03  1.07050015028E-03
  1.09753658658E-03  1.12525420552E-03  1.15367008502E-03  1.18280172681E-03
  1.21266706673E-03  1.24328448527E-03  1.27467281835E-03  1.30685136832E-03
  1.33983991526E-03  1.37365872851E-03  1.40832857847E-03  1.44387074867E-03
  1.48030704809E-03  1.51765982382E-03  1.55595197394E-03  1.59520696072E-03
  1.63544882412E-03  1.67670219559E-03  1.71899231213E-03  1.76234503077E-03
  1.80678684325E-03  1.85234489108E-03  1.89904698095E-03  1.94692160043E-03
  1.99599793404E-03  2.04630587966E-03  2.09787606526E-03  2.15073986608E-03
  2.20492942206E-03  2.26047765569E-03  2.31741829030E-03  2.37578586859E-03
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  2.69029669533E-03  2.75799966279E-03  2.82739596203E-03  2.89852740847E-03
  2.97143682246E-03  3.04616805198E-03  3.12276599580E-03  3.20127662708E-03
  3.28174701739E-03  3.36422536117E-03  3.44876100070E-03  3.53540445149E-03
  3.62420742810E-03  3.71522287044E-03  3.80850497057E-03  3.90410919992E-03
  4.00209233697E-03  4.10251249541E-03  4.20542915275E-03  4.31090317947E-03
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  1.07189240404E-02  1.09837469044E-02  1.12549421834E-02  1.15326544371E-02
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