File: Ta_pbe_v1.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:   13    5 2013                              
Automatically converted from original format                                    
    1        The Pseudo was generated with a Scalar-Relativistic Calculation
  2.00000000000E+00    Local Potential cutoff radius
nl pn  l   occ               Rcut            Rcut US             E pseu
5S  5  0  2.00      0.00000000000      1.40000000000     -5.36479206400
5P  5  1  6.00      0.00000000000      1.50000000000     -2.89585620000
5D  5  2  3.00      0.00000000000      1.70000000000     -0.26397349800
6S  6  0  2.00      0.00000000000      1.40000000000     -0.39996405300
6P  6  1  0.00      0.00000000000      1.50000000000     -0.10225719600
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  Ta                   Element
   US                  Ultrasoft pseudopotential
    T                  Nonlinear Core Correction
SLA  PW   PBE  PBE     PBE  Exchange-Correlation functional
   13.00000000000      Z valence
 -141.16638659700      Total energy
    0.00000    0.00000 Suggested cutoff for wfc and rho
    3                  Max angular momentum component
  921                  Number of points in mesh
    5    7             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       5S  0  2.00
                       5P  1  6.00
                       5D  2  3.00
                       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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  5.33494413111E-12  5.62187000180E-12  5.92612000445E-12  6.24852310606E-12
  6.59046968264E-12  6.95310772726E-12  7.33788569804E-12  7.74612923194E-12
  8.17948174508E-12  8.63950959193E-12  9.12801265693E-12  9.64672455233E-12
  1.01979729869E-11  1.07835022561E-11  1.14058024255E-11  1.20673083089E-11
  1.27705062400E-11  1.35183873061E-11  1.43136617447E-11  1.51596890576E-11
  1.60597885903E-11  1.70175925963E-11  1.80369944711E-11  1.91221076271E-11
  2.02773044061E-11  2.15075919762E-11  2.28172773333E-11  2.42130775088E-11
  2.56994054235E-11  2.72831761995E-11  2.89707891756E-11  3.07693253345E-11
  3.26865539799E-11  3.47299665806E-11  3.69088957255E-11  3.92319972617E-11
  4.17095235942E-11  4.43516895049E-11  4.71701289335E-11  5.01765531853E-11
  5.33842185084E-11  5.68064741457E-11  6.04584644790E-11  6.43559914434E-11
  6.85155427640E-11  7.29551403677E-11  7.76953245658E-11  8.27548743928E-11
  8.81572237493E-11  9.39251867645E-11  1.00084838224E-10  1.06662611729E-10
  1.13687644485E-10  1.21190912403E-10  1.29205468680E-10  1.37766636215E-10
  1.46912497778E-10  1.56683442325E-10  1.67122938850E-10  1.78277148290E-10
  1.90196052545E-10  2.02932400035E-10  2.16543423842E-10  2.31089076137E-10
  2.46635945529E-10  2.63250924169E-10  2.81012495200E-10  2.99996562191E-10
  3.20289709890E-10  3.41983188447E-10  3.65175375748E-10  3.89969221018E-10
  4.16476863891E-10  4.44818729220E-10  4.75121733235E-10  5.07522900914E-10
  5.42169079480E-10  5.79216649605E-10  6.18833038438E-10  6.61198651855E-10
  7.06504273321E-10  7.54955974115E-10  8.06773783045E-10  8.62192110942E-10
  9.21464192480E-10  9.84856053673E-10  1.05266298953E-09  1.12518485824E-09
  1.20275654650E-09  1.28573157485E-09  1.37448569323E-09  1.46942532628E-09
  1.57098234987E-09  1.67961981444E-09  1.79583426370E-09  1.92015604141E-09
  2.05315164728E-09  2.19542987522E-09  2.34764050119E-09  2.51047848392E-09
  2.68468930778E-09  2.87106973729E-09  3.07047068516E-09  3.28380767777E-09
  3.51205003213E-09  3.75625677705E-09  4.01753020436E-09  4.29707529214E-09
  4.59617384337E-09  4.91618938059E-09  5.25859757616E-09  5.62495974766E-09
  6.01696233441E-09  6.43639706021E-09  6.88519153489E-09  7.36540287840E-09
  7.87923562315E-09  8.42904209797E-09  9.01735396008E-09  9.64686524076E-09
  1.03204656498E-08  1.10412526605E-08  1.18125280293E-08  1.26378416220E-08
  1.35209705571E-08  1.44659984256E-08  1.54772297906E-08  1.65593353838E-08
  1.77172787664E-08  1.89563790258E-08  2.02823339406E-08  2.17012320004E-08
  2.32195980848E-08  2.48444084774E-08  2.65831321441E-08  2.84437605616E-08
  3.04348491920E-08  3.25655466351E-08  3.48456586066E-08  3.72856541523E-08
  3.98967659461E-08  4.26909907609E-08  4.56811840898E-08  4.88810913230E-08
  5.23054228545E-08  5.59699597907E-08  5.98915064908E-08  6.40881289357E-08
  6.85791269752E-08  7.33851501726E-08  7.85283103295E-08  8.40322589858E-08
  8.99223236550E-08  9.62255866983E-08  1.02971052736E-07  1.10189748640E-07
  1.17914878410E-07  1.26181987407E-07  1.35029111818E-07  1.44496927768E-07
  1.54629031687E-07  1.65472000780E-07  1.77075744886E-07  1.89493612274E-07
  2.02782808857E-07  2.17004392054E-07  2.32223824030E-07  2.48511142667E-07
  2.65941266020E-07  2.84594373843E-07  3.04556320523E-07  3.25918917469E-07
  3.48780452248E-07  3.73246141741E-07  3.99428479163E-07  4.27448011164E-07
  4.57433555692E-07  4.89523162137E-07  5.23864379086E-07  5.60615272833E-07
  5.99944874142E-07  6.42034148992E-07  6.87076726412E-07  7.35279773701E-07
  7.86865239960E-07  8.42070171186E-07  9.01148718067E-07  9.64372635250E-07
  1.03203271652E-06  1.10444028205E-06  1.18192837338E-06  1.26485350194E-06
  1.35359705905E-06  1.44856731053E-06  1.55020113405E-06  1.65896598296E-06
  1.77536216648E-06  1.89992512977E-06  2.03322773019E-06  2.17588314548E-06
  2.32854755202E-06  2.49192304051E-06  2.66676105396E-06  2.85386560536E-06
  3.05409758465E-06  3.26837730798E-06  3.49769058329E-06  3.74309188230E-06
  4.00570971316E-06  4.28675177177E-06  4.58751033490E-06  4.90936850206E-06
  5.25380610449E-06  5.62240703254E-06  6.01686594212E-06  6.43899660298E-06
  6.89073972174E-06  7.37417230674E-06  7.89151672484E-06  8.44515145185E-06
  9.03762157063E-06  9.67165048063E-06  1.03501528727E-05  1.10762470872E-05
  1.18532713627E-05  1.26847960278E-05  1.35746436129E-05  1.45269032678E-05
  1.55459514094E-05  1.66364710206E-05  1.78034731811E-05  1.90523203111E-05
  2.03887508850E-05  2.18189046236E-05  2.33493528306E-05  2.49871259763E-05
  2.67397480303E-05  2.86152696957E-05  3.06223059596E-05  3.27700751640E-05
  3.50684414195E-05  3.75279601558E-05  4.01599254127E-05  4.29764239792E-05
  4.59903864549E-05  4.92156515970E-05  5.26670258081E-05  5.63603528846E-05
  6.03125856508E-05  6.45418642583E-05  6.90675981768E-05  7.39105562426E-05
  7.90929600881E-05  8.46385900453E-05  9.05728821746E-05  9.69230663564E-05
  1.03718260688E-04  1.10989638958E-04  1.18770536882E-04  1.27096640814E-04
  1.36006114390E-04  1.45539808938E-04  1.55741413500E-04  1.66657690819E-04
  1.78338652814E-04  1.90837828131E-04  2.04212464848E-04  2.18523833433E-04
  2.33837462529E-04  2.50223482564E-04  2.67756896235E-04  2.86517972341E-04
  3.06592553948E-04  3.28072505315E-04  3.51056085015E-04  3.75648405450E-04
  4.01961934729E-04  4.30116953724E-04  4.60242166577E-04  4.92475215055E-04
  5.26963370526E-04  5.63864132542E-04  6.03346008543E-04  6.45589205856E-04
  6.90786517983E-04  7.39144117854E-04  7.90882568485E-04  8.46237731773E-04
  9.05461916912E-04  9.68824926340E-04  1.03661535916E-03  1.10914181319E-03
  1.18673435893E-03  1.26974594699E-03  1.35855401270E-03  1.45356219781E-03
  1.55520206814E-03  1.66393514642E-03  1.78025484774E-03  1.90468879797E-03
  2.03780104499E-03  2.18019469355E-03  2.33251443655E-03  2.49544954177E-03
  2.66973674720E-03  2.85616365330E-03  3.05557202690E-03  3.26886164732E-03
  3.49699408184E-03  3.74099704820E-03  4.00196870530E-03  4.28108260857E-03
  4.57959263543E-03  4.89883845899E-03  5.24025137388E-03  5.60536028274E-03
  5.99579842752E-03  6.41331014100E-03  6.85975845837E-03  7.33713277613E-03
  7.84755745200E-03  8.39330046262E-03  8.97678312557E-03  9.60058985947E-03
  1.02674791460E-02  1.09803945507E-02  1.17424770312E-02  1.25570773427E-02
  1.34277698701E-02  1.43583665453E-02  1.53529323264E-02  1.64158008156E-02
  1.75515914782E-02  1.87652272303E-02  2.00619533132E-02  2.14473572651E-02
  2.29273894810E-02  2.45083855541E-02  2.61970889011E-02  2.80006754070E-02
  2.99267782879E-02  3.19835150651E-02  3.41795147453E-02  3.65239471596E-02
  3.90265523947E-02  4.16976724743E-02  4.45482829206E-02  4.75900265944E-02
  5.08352471664E-02  5.42970247492E-02  5.79892108939E-02  6.19264654086E-02
  6.61242924253E-02  7.05990770953E-02  7.53681223469E-02  8.04496839912E-02
  8.58630064430E-02  9.16283551708E-02  9.77670489741E-02  1.04301487634E-01
  1.11255178081E-01  1.18652754120E-01  1.26519992939E-01  1.34883822823E-01
  1.43772325265E-01  1.53214725342E-01  1.63241373281E-01  1.73883710605E-01
  1.85174223265E-01  1.97146374702E-01  2.09834520535E-01  2.23273797598E-01
  2.37499986992E-01  2.52549346069E-01  2.68458403791E-01  2.85263718138E-01
  3.03001585666E-01  3.21707702743E-01  3.41416766808E-01  3.62162016551E-01
  3.83974697806E-01  4.06883453709E-01  4.30913624320E-01  4.56086453618E-01
  4.82418188267E-01  5.09919065621E-01  5.38592174567E-01  5.68432187424E-01
  5.99423946386E-01  6.31540904377E-01  6.64743405468E-01  6.98976807741E-01
  7.34169438914E-01  7.70230390451E-01  8.07047154332E-01  8.44483110082E-01
  8.82374887201E-01  9.20529621702E-01  9.58722155240E-01  9.96692220001E-01
  1.03414168962E+00  1.07073197772E+00  1.10608171032E+00  1.13976480954E+00
  1.17130918176E+00  1.20019622584E+00  1.22586144834E+00  1.24769650994E+00
  1.26505311718E+00  1.27724923050E+00  1.28357817031E+00  1.28332128587E+00
  1.27576498048E+00  1.26022300684E+00  1.23606508332E+00  1.20275304403E+00
  1.15988587908E+00  1.10725520658E+00  1.04491286439E+00  9.73252489510E-01
  8.93107074149E-01  8.05864617080E-01  7.13604025051E-01  6.19253418273E-01
  5.26772838629E-01  4.41363089631E-01  3.69701911654E-01  3.20207928862E-01
  3.03331618576E-01  3.47948798952E-01  3.45742606624E-01  3.11165998684E-01
  2.51952706487E-01  1.78047530442E-01  1.01825140935E-01  3.77966956582E-02
  4.25075742335E-03  5.35490054223E-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
  </PP_BETA>
  <PP_DIJ>
   10                  Number of nonzero Dij
    1    1 -3.34549043292E+00
    1    2  9.37830110221E-01
    2    2 -2.87300932456E+00
    3    3 -4.24813297523E+00
    3    4 -1.66539820866E+00
    4    4 -2.10253719313E+00
    5    5 -2.62250034338E+00
    5    6  6.17080129905E-01
    6    6 -2.58891655979E-01
    7    7  1.11546252519E+00
  </PP_DIJ>
  <PP_QIJ>
    6     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    <PP_RINNER>
    1  1.30000000000E+00
    2  1.30000000000E+00
    3  1.30000000000E+00
    4  1.30000000000E+00
    5  1.30000000000E+00
    6  1.30000000000E+00
    7  1.30000000000E+00
    </PP_RINNER>
    1    1    0        i  j  (l(j))
 -3.05531417649E-01    Q_int
  0.00000000000E+00 -1.44999423703E-12 -5.89954313522E-12 -1.35024881469E-11
 -2.44188369210E-11 -3.88149906419E-11 -5.68639794581E-11 -7.87457062849E-11
 -1.04647199274E-10 -1.34762873251E-10 -1.69294800441E-10 -2.08452990797E-10
 -2.52455682280E-10 -3.01529641419E-10 -3.55910474541E-10 -4.15842950006E-10
 -4.81581331864E-10 -5.53389725313E-10 -6.31542434383E-10 -7.16324332257E-10
 -8.08031244692E-10 -9.06970346972E-10 -1.01346057489E-09 -1.12783305022E-09
 -1.25043152124E-09 -1.38161281871E-09 -1.52174732804E-09 -1.67121947799E-09
 -1.83042824664E-09 -1.99978768520E-09 -2.17972746017E-09 -2.37069341469E-09
 -2.57314814957E-09 -2.78757162473E-09 -3.01446178185E-09 -3.25433518885E-09
 -3.50772770704E-09 -3.77519518167E-09 -4.05731415673E-09 -4.35468261489E-09
 -4.66792074328E-09 -4.99767172627E-09 -5.34460256596E-09 -5.70940493142E-09
 -6.09279603780E-09 -6.49551955608E-09 -6.91834655483E-09 -7.36207647483E-09
 -7.82753813792E-09 -8.31559079104E-09 -8.82712518689E-09 -9.36306470235E-09
 -9.92436649600E-09 -1.05120227062E-08 -1.11270616907E-08 -1.17705493104E-08
 -1.24435902568E-08 -1.31473294267E-08 -1.38829533448E-08 -1.46516916353E-08
 -1.54548185459E-08 -1.62936545242E-08 -1.71695678493E-08 -1.80839763204E-08
 -1.90383490045E-08 -2.00342080444E-08 -2.10731305307E-08 -2.21567504377E-08
 -2.32867606284E-08 -2.44649149282E-08 -2.56930302710E-08 -2.69729889204E-08
 -2.83067407681E-08 -2.96963057124E-08 -3.11437761192E-08 -3.26513193690E-08
 -3.42211804925E-08 -3.58556848979E-08 -3.75572411927E-08 -3.93283441044E-08
 -4.11715775023E-08 -4.30896175241E-08 -4.50852358122E-08 -4.71613028613E-08
 -4.93207914833E-08 -5.15667803925E-08 -5.39024579146E-08 -5.63311258257E-08
 -5.88562033239E-08 -6.14812311392E-08 -6.42098757860E-08 -6.70459339634E-08
 -6.99933371081E-08 -7.30561561058E-08 -7.62386061658E-08 -7.95450518648E-08
 -8.29800123659E-08 -8.65481668189E-08 -9.02543599475E-08 -9.41036078307E-08
 -9.81011038852E-08 -1.02252225054E-07 -1.06562538212E-07 -1.11037806789E-07
 -1.15683997632E-07 -1.20507288090E-07 -1.25514073364E-07 -1.30710974091E-07
 -1.36104844210E-07 -1.41702779087E-07 -1.47512123928E-07 -1.53540482482E-07
 -1.59795726046E-07 -1.66286002781E-07 -1.73019747353E-07 -1.80005690905E-07
 -1.87252871375E-07 -1.94770644178E-07 -2.02568693245E-07 -2.10657042457E-07
 -2.19046067466E-07 -2.27746507933E-07 -2.36769480182E-07 -2.46126490300E-07
 -2.55829447680E-07 -2.65890679049E-07 -2.76322942961E-07 -2.87139444811E-07
 -2.98353852356E-07 -3.09980311780E-07 -3.22033464309E-07 -3.34528463408E-07
 -3.47480992566E-07 -3.60907283704E-07 -3.74824136209E-07 -3.89248936643E-07
 -4.04199679114E-07 -4.19694986368E-07 -4.35754131603E-07 -4.52397061037E-07
 -4.69644417261E-07 -4.87517563394E-07 -5.06038608081E-07 -5.25230431346E-07
 -5.45116711348E-07 -5.65721952054E-07 -5.87071511877E-07 -6.09191633298E-07
 -6.32109473514E-07 -6.55853136146E-07 -6.80451704044E-07 -7.05935273224E-07
 -7.32334987978E-07 -7.59683077201E-07 -7.88012891971E-07 -8.17358944424E-07
 -8.47756947982E-07 -8.79243858965E-07 -9.11857919638E-07 -9.45638702752E-07
 -9.80627157626E-07 -1.01686565781E-06 -1.05439805040E-06 -1.09326970708E-06
 -1.13352757686E-06 -1.17522024075E-06 -1.21839796819E-06 -1.26311277554E-06
 -1.30941848651E-06 -1.35737079474E-06 -1.40702732851E-06 -1.45844771768E-06
 -1.51169366296E-06 -1.56682900755E-06 -1.62391981130E-06 -1.68303442736E-06
 -1.74424358156E-06 -1.80762045445E-06 -1.87324076623E-06 -1.94118286461E-06
 -2.01152781566E-06 -2.08435949784E-06 -2.15976469927E-06 -2.23783321833E-06
 -2.31865796780E-06 -2.40233508249E-06 -2.48896403071E-06 -2.57864772946E-06
 -2.67149266374E-06 -2.76760900982E-06 -2.86711076293E-06 -2.97011586920E-06
 -3.07674636229E-06 -3.18712850464E-06 -3.30139293367E-06 -3.41967481293E-06
 -3.54211398860E-06 -3.66885515127E-06 -3.80004800337E-06 -3.93584743238E-06
 -4.07641368995E-06 -4.22191257733E-06 -4.37251563706E-06 -4.52840035135E-06
 -4.68975034734E-06 -4.85675560934E-06 -5.02961269851E-06 -5.20852498001E-06
 -5.39370285810E-06 -5.58536401925E-06 -5.78373368375E-06 -5.98904486586E-06
 -6.20153864307E-06 -6.42146443459E-06 -6.64908028946E-06 -6.88465318458E-06
 -7.12845933306E-06 -7.38078450318E-06 -7.64192434839E-06 -7.91218474862E-06
 -8.19188216349E-06 -8.48134399758E-06 -8.78090897837E-06 -9.09092754721E-06
 -9.41176226378E-06 -9.74378822447E-06 -1.00873934952E-05 -1.04429795594E-05
 -1.08109617808E-05 -1.11917698831E-05 -1.15858484454E-05 -1.19936574150E-05
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