quantum-espresso-data 6.0-3 / usr / share / espresso / pseudo / H.tpss-mt.UPF

<PP_INFO>
Generated using modified version of ld1 code for metaGGA
Author: Xiaofei Wang/Carlo Sbraccia   Generation date: 2005
Info: automatically converted from PWSCF format                                 
    0        The Pseudo was generated with a Non-Relativistic Calculation
nl pn  l   occ               Rcut            Rcut US             E pseu
1S  0  0  1.00      0.00000000000      0.00000000000      0.00000000000
</PP_INFO>


<PP_HEADER>
   0                   Version Number
   H                   Element
   NC                  Norm - Conserving pseudopotential
    F                  Nonlinear Core Correction
 SLA  PW   TPSS TPSS   META Exchange-Correlation functional
    1.00000000000      Z valence
    0.00000000000      Total energy
  0.0000000  0.0000000 Suggested cutoff for wfc and rho
   -1                  Max angular momentum component
 1263                  Number of points in mesh
    1    0             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       1S  0  1.00
</PP_HEADER>


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 -1.03637780000E-01 -1.02811980000E-01 -1.01992770000E-01 -1.01180080000E-01
 -1.00373870000E-01 -9.95740810000E-02 -9.87806660000E-02 -9.79935730000E-02
 -9.72127520000E-02 -9.64381520000E-02 -9.56697250000E-02 -9.49074200000E-02
 -9.41511900000E-02 -9.34009850000E-02 -9.26567580000E-02 -9.19184610000E-02
 -9.11860470000E-02 -9.04594690000E-02 -8.97386800000E-02 -8.90236350000E-02
 -8.83142870000E-02 -8.76105910000E-02 -8.69125020000E-02 -8.62199760000E-02
 -8.55329680000E-02 -8.48514340000E-02 -8.41753300000E-02 -8.35046140000E-02
 -8.28392420000E-02 -8.21791720000E-02 -8.15243610000E-02 -8.08747680000E-02
 -8.02303510000E-02 -7.95910690000E-02 -7.89568810000E-02 -7.83277460000E-02
 -7.77036230000E-02 -7.70844740000E-02 -7.64702590000E-02 -7.58609370000E-02
 -7.52564710000E-02 -7.46568210000E-02 -7.40619490000E-02 -7.34718170000E-02
 -7.28863870000E-02 -7.23056220000E-02 -7.17294850000E-02 -7.11579380000E-02
 -7.05909460000E-02 -7.00284710000E-02 -6.94704780000E-02 -6.89169310000E-02
 -6.83677950000E-02 -6.78230350000E-02 -6.72826150000E-02 -6.67465020000E-02
 -6.62146600000E-02 -6.56870560000E-02 -6.51636560000E-02 -6.46444260000E-02
 -6.41293340000E-02 -6.36183460000E-02 -6.31114290000E-02 -6.26085520000E-02
 -6.21096820000E-02 -6.16147870000E-02 -6.11238350000E-02 -6.06367950000E-02
 -6.01536360000E-02 -5.96743260000E-02 -5.91988360000E-02 -5.87271350000E-02
 -5.82591920000E-02 -5.77949780000E-02 -5.73344620000E-02 -5.68776170000E-02
 -5.64244110000E-02 -5.59748160000E-02 -5.55288040000E-02 -5.50863460000E-02
 -5.46474130000E-02 -5.42119780000E-02 -5.37800120000E-02 -5.33514890000E-02
 -5.29263800000E-02 -5.25046580000E-02 -5.20862960000E-02 -5.16712680000E-02
 -5.12595470000E-02 -5.08511060000E-02 -5.04459200000E-02 -5.00439630000E-02
 -4.96452090000E-02 -4.92496310000E-02 -4.88572060000E-02 -4.84679080000E-02
 -4.80817110000E-02 -4.76985920000E-02 -4.73185260000E-02 -4.69414880000E-02
 -4.65674540000E-02 -4.61964000000E-02 -4.58283030000E-02 -4.54631400000E-02
 -4.51008850000E-02 -4.47415180000E-02 -4.43850140000E-02 -4.40313500000E-02
 -4.36805040000E-02 -4.33324540000E-02 -4.29871780000E-02 -4.26446520000E-02
 -4.23048560000E-02 -4.19677670000E-02 -4.16333650000E-02 -4.13016260000E-02
 -4.09725310000E-02 -4.06460590000E-02 -4.03221880000E-02 -4.00008970000E-02
 -3.96821660000E-02 -3.93659760000E-02 -3.90523040000E-02 -3.87411320000E-02
 -3.84324390000E-02 -3.81262060000E-02 -3.78224140000E-02 -3.75210410000E-02
 -3.72220700000E-02 -3.69254820000E-02 -3.66312560000E-02 -3.63393750000E-02
 -3.60498200000E-02 -3.57625720000E-02 -3.54776130000E-02 -3.51949240000E-02
 -3.49144880000E-02 -3.46362870000E-02 -3.43603020000E-02 -3.40865160000E-02
 -3.38149120000E-02 -3.35454710000E-02 -3.32781780000E-02
</PP_LOCAL>


<PP_NONLOCAL>
  <PP_DIJ>
    0                  Number of nonzero Dij
  </PP_DIJ>
</PP_NONLOCAL>


<PP_PSWFC>
1S    0  1.00          Wavefunction
  3.75942960000E-03  3.78962530000E-03  3.82006340000E-03  3.85074610000E-03
  3.88167520000E-03  3.91285270000E-03  3.94428060000E-03  3.97596090000E-03
  4.00789570000E-03  4.04008690000E-03  4.07253680000E-03  4.10524720000E-03
  4.13822040000E-03  4.17145840000E-03  4.20496330000E-03  4.23873740000E-03
  4.27278270000E-03  4.30710150000E-03  4.34169590000E-03  4.37656810000E-03
  4.41172040000E-03  4.44715510000E-03  4.48287440000E-03  4.51888050000E-03
  4.55517580000E-03  4.59176270000E-03  4.62864330000E-03  4.66582020000E-03
  4.70329570000E-03  4.74107220000E-03  4.77915210000E-03  4.81753780000E-03
  4.85623180000E-03  4.89523660000E-03  4.93455470000E-03  4.97418850000E-03
  5.01414070000E-03  5.05441370000E-03  5.09501020000E-03  5.13593280000E-03
  5.17718400000E-03  5.21876650000E-03  5.26068300000E-03  5.30293620000E-03
  5.34552870000E-03  5.38846320000E-03  5.43174260000E-03  5.47536960000E-03
  5.51934700000E-03  5.56367760000E-03  5.60836420000E-03  5.65340970000E-03
  5.69881700000E-03  5.74458900000E-03  5.79072850000E-03  5.83723870000E-03
  5.88412240000E-03  5.93138260000E-03  5.97902240000E-03  6.02704470000E-03
  6.07545280000E-03  6.12424960000E-03  6.17343840000E-03  6.22302220000E-03
  6.27300420000E-03  6.32338760000E-03  6.37417560000E-03  6.42537160000E-03
  6.47697870000E-03  6.52900020000E-03  6.58143960000E-03  6.63430010000E-03
  6.68758510000E-03  6.74129810000E-03  6.79544240000E-03  6.85002160000E-03
  6.90503910000E-03  6.96049850000E-03  7.01640320000E-03  7.07275690000E-03
  7.12956320000E-03  7.18682570000E-03  7.24454800000E-03  7.30273390000E-03
  7.36138710000E-03  7.42051140000E-03  7.48011040000E-03  7.54018810000E-03
  7.60074830000E-03  7.66179480000E-03  7.72333150000E-03  7.78536250000E-03
  7.84789150000E-03  7.91092280000E-03  7.97446020000E-03  8.03850790000E-03
  8.10306990000E-03  8.16815030000E-03  8.23375350000E-03  8.29988340000E-03
  8.36654440000E-03  8.43374070000E-03  8.50147660000E-03  8.56975650000E-03
  8.63858470000E-03  8.70796560000E-03  8.77790370000E-03  8.84840340000E-03
  8.91946920000E-03  8.99110580000E-03  9.06331750000E-03  9.13610920000E-03
  9.20948530000E-03  9.28345070000E-03  9.35801010000E-03  9.43316810000E-03
  9.50892970000E-03  9.58529970000E-03  9.66228290000E-03  9.73988430000E-03
  9.81810880000E-03  9.89696140000E-03  9.97644720000E-03  1.00565710000E-02
  1.01373390000E-02  1.02187550000E-02  1.03008250000E-02  1.03835530000E-02
  1.04669460000E-02  1.05510090000E-02  1.06357470000E-02  1.07211650000E-02
  1.08072680000E-02  1.08940640000E-02  1.09815560000E-02  1.10697500000E-02
  1.11586530000E-02  1.12482700000E-02  1.13386060000E-02  1.14296680000E-02
  1.15214600000E-02  1.16139900000E-02  1.17072620000E-02  1.18012840000E-02
  1.18960600000E-02  1.19915970000E-02  1.20879020000E-02  1.21849790000E-02
  1.22828360000E-02  1.23814790000E-02  1.24809130000E-02  1.25811460000E-02
  1.26821840000E-02  1.27840330000E-02  1.28866990000E-02  1.29901900000E-02
  1.30945110000E-02  1.31996700000E-02  1.33056740000E-02  1.34125280000E-02
  1.35202400000E-02  1.36288170000E-02  1.37382650000E-02  1.38485920000E-02
  1.39598050000E-02  1.40719110000E-02  1.41849160000E-02  1.42988290000E-02
  1.44136560000E-02  1.45294050000E-02  1.46460830000E-02  1.47636970000E-02
  1.48822560000E-02  1.50017660000E-02  1.51222360000E-02  1.52436720000E-02
  1.53660840000E-02  1.54894780000E-02  1.56138620000E-02  1.57392450000E-02
  1.58656340000E-02  1.59930370000E-02  1.61214630000E-02  1.62509200000E-02
  1.63814160000E-02  1.65129600000E-02  1.66455590000E-02  1.67792220000E-02
  1.69139580000E-02  1.70497750000E-02  1.71866820000E-02  1.73246880000E-02
  1.74638020000E-02  1.76040320000E-02  1.77453870000E-02  1.78878770000E-02
  1.80315100000E-02  1.81762960000E-02  1.83222430000E-02  1.84693620000E-02
  1.86176610000E-02  1.87671510000E-02  1.89178390000E-02  1.90697370000E-02
  1.92228540000E-02  1.93771990000E-02  1.95327830000E-02  1.96896150000E-02
  1.98477050000E-02  2.00070640000E-02  2.01677010000E-02  2.03296270000E-02
  2.04928510000E-02  2.06573860000E-02  2.08232400000E-02  2.09904250000E-02
  2.11589510000E-02  2.13288290000E-02  2.15000700000E-02  2.16726840000E-02
  2.18466830000E-02  2.20220780000E-02  2.21988790000E-02  2.23770990000E-02
  2.25567480000E-02  2.27378370000E-02  2.29203800000E-02  2.31043860000E-02
  2.32898680000E-02  2.34768370000E-02  2.36653060000E-02  2.38552860000E-02
  2.40467900000E-02  2.42398300000E-02  2.44344170000E-02  2.46305640000E-02
  2.48282850000E-02  2.50275910000E-02  2.52284940000E-02  2.54310090000E-02
  2.56351470000E-02  2.58409210000E-02  2.60483460000E-02  2.62574330000E-02
  2.64681960000E-02  2.66806490000E-02  2.68948050000E-02  2.71106770000E-02
  2.73282800000E-02  2.75476260000E-02  2.77687310000E-02  2.79916080000E-02
  2.82162710000E-02  2.84427340000E-02  2.86710130000E-02  2.89011200000E-02
  2.91330710000E-02  2.93668810000E-02  2.96025650000E-02  2.98401360000E-02
  3.00796110000E-02  3.03210050000E-02  3.05643320000E-02  3.08096090000E-02
  3.10568500000E-02  3.13060720000E-02  3.15572900000E-02  3.18105200000E-02
  3.20657780000E-02  3.23230800000E-02  3.25824430000E-02  3.28438830000E-02
  3.31074170000E-02  3.33730600000E-02  3.36408300000E-02  3.39107450000E-02
  3.41828200000E-02  3.44570730000E-02  3.47335220000E-02  3.50121830000E-02
  3.52930750000E-02  3.55762150000E-02  3.58616210000E-02  3.61493110000E-02
  3.64393040000E-02  3.67316160000E-02  3.70262680000E-02  3.73232770000E-02
  3.76226620000E-02  3.79244420000E-02  3.82286370000E-02  3.85352640000E-02
  3.88443440000E-02  3.91558960000E-02  3.94699390000E-02  3.97864930000E-02
  4.01055790000E-02  4.04272160000E-02  4.07514240000E-02  4.10782240000E-02
  4.14076360000E-02  4.17396820000E-02  4.20743810000E-02  4.24117540000E-02
  4.27518240000E-02  4.30946110000E-02  4.34401370000E-02  4.37884230000E-02
  4.41394920000E-02  4.44933640000E-02  4.48500630000E-02  4.52096100000E-02
  4.55720290000E-02  4.59373410000E-02  4.63055700000E-02  4.66767390000E-02
  4.70508700000E-02  4.74279880000E-02  4.78081150000E-02  4.81912750000E-02
  4.85774930000E-02  4.89667920000E-02  4.93591960000E-02  4.97547300000E-02
  5.01534190000E-02  5.05552880000E-02  5.09603600000E-02  5.13686620000E-02
  5.17802190000E-02  5.21950570000E-02  5.26132000000E-02  5.30346760000E-02
  5.34595090000E-02  5.38877280000E-02  5.43193570000E-02  5.47544240000E-02
  5.51929560000E-02  5.56349790000E-02  5.60805210000E-02  5.65296100000E-02
  5.69822730000E-02  5.74385380000E-02  5.78984340000E-02  5.83619880000E-02
  5.88292290000E-02  5.93001860000E-02  5.97748880000E-02  6.02533640000E-02
  6.07356430000E-02  6.12217550000E-02  6.17117290000E-02  6.22055970000E-02
  6.27033870000E-02  6.32051310000E-02  6.37108590000E-02  6.42206010000E-02
  6.47343900000E-02  6.52522560000E-02  6.57742310000E-02  6.63003470000E-02
  6.68306360000E-02  6.73651290000E-02  6.79038600000E-02  6.84468600000E-02
  6.89941640000E-02  6.95458040000E-02  7.01018130000E-02  7.06622260000E-02
  7.12270750000E-02  7.17963960000E-02  7.23702210000E-02  7.29485870000E-02
  7.35315270000E-02  7.41190770000E-02  7.47112720000E-02  7.53081480000E-02
  7.59097390000E-02  7.65160830000E-02  7.71272160000E-02  7.77431730000E-02
  7.83639920000E-02  7.89897100000E-02  7.96203630000E-02  8.02559900000E-02
  8.08966270000E-02  8.15423140000E-02  8.21930880000E-02  8.28489880000E-02
  8.35100520000E-02  8.41763190000E-02  8.48478290000E-02  8.55246210000E-02
  8.62067340000E-02  8.68942090000E-02  8.75870870000E-02  8.82854060000E-02
  8.89892090000E-02  8.96985360000E-02  9.04134280000E-02  9.11339280000E-02
  9.18600760000E-02  9.25919140000E-02  9.33294860000E-02  9.40728330000E-02
  9.48219980000E-02  9.55770250000E-02  9.63379560000E-02  9.71048360000E-02
  9.78777070000E-02  9.86566150000E-02  9.94416030000E-02  1.00232720000E-01
  1.01030000000E-01  1.01833500000E-01  1.02643250000E-01  1.03459320000E-01
  1.04281730000E-01  1.05110550000E-01  1.05945800000E-01  1.06787550000E-01
  1.07635840000E-01  1.08490710000E-01  1.09352210000E-01  1.10220390000E-01
  1.11095300000E-01  1.11976990000E-01  1.12865500000E-01  1.13760880000E-01
  1.14663180000E-01  1.15572460000E-01  1.16488750000E-01  1.17412110000E-01
  1.18342590000E-01  1.19280250000E-01  1.20225120000E-01  1.21177250000E-01
  1.22136710000E-01  1.23103550000E-01  1.24077800000E-01  1.25059530000E-01
  1.26048780000E-01  1.27045610000E-01  1.28050070000E-01  1.29062200000E-01
  1.30082080000E-01  1.31109740000E-01  1.32145230000E-01  1.33188620000E-01
  1.34239960000E-01  1.35299290000E-01  1.36366670000E-01  1.37442160000E-01
  1.38525810000E-01  1.39617670000E-01  1.40717790000E-01  1.41826240000E-01
  1.42943070000E-01  1.44068320000E-01  1.45202060000E-01  1.46344340000E-01
  1.47495220000E-01  1.48654740000E-01  1.49822970000E-01  1.50999960000E-01
  1.52185760000E-01  1.53380440000E-01  1.54584050000E-01  1.55796630000E-01
  1.57018250000E-01  1.58248970000E-01  1.59488840000E-01  1.60737910000E-01
  1.61996250000E-01  1.63263900000E-01  1.64540920000E-01  1.65827370000E-01
  1.67123310000E-01  1.68428780000E-01  1.69743860000E-01  1.71068580000E-01
  1.72403010000E-01  1.73747210000E-01  1.75101220000E-01  1.76465110000E-01
  1.77838930000E-01  1.79222730000E-01  1.80616570000E-01  1.82020500000E-01
  1.83434590000E-01  1.84858880000E-01  1.86293420000E-01  1.87738280000E-01
  1.89193510000E-01  1.90659150000E-01  1.92135270000E-01  1.93621910000E-01
  1.95119130000E-01  1.96626990000E-01  1.98145520000E-01  1.99674800000E-01
  2.01214850000E-01  2.02765750000E-01  2.04327540000E-01  2.05900260000E-01
  2.07483970000E-01  2.09078720000E-01  2.10684550000E-01  2.12301520000E-01
  2.13929660000E-01  2.15569040000E-01  2.17219690000E-01  2.18881660000E-01
  2.20555000000E-01  2.22239740000E-01  2.23935940000E-01  2.25643630000E-01
  2.27362860000E-01  2.29093660000E-01  2.30836090000E-01  2.32590180000E-01
  2.34355960000E-01  2.36133470000E-01  2.37922760000E-01  2.39723850000E-01
  2.41536780000E-01  2.43361580000E-01  2.45198290000E-01  2.47046940000E-01
  2.48907550000E-01  2.50780160000E-01  2.52664790000E-01  2.54561470000E-01
  2.56470220000E-01  2.58391060000E-01  2.60324030000E-01  2.62269120000E-01
  2.64226380000E-01  2.66195800000E-01  2.68177420000E-01  2.70171230000E-01
  2.72177250000E-01  2.74195500000E-01  2.76225970000E-01  2.78268680000E-01
  2.80323630000E-01  2.82390820000E-01  2.84470250000E-01  2.86561920000E-01
  2.88665820000E-01  2.90781950000E-01  2.92910300000E-01  2.95050860000E-01
  2.97203600000E-01  2.99368530000E-01  3.01545600000E-01  3.03734820000E-01
  3.05936140000E-01  3.08149540000E-01  3.10375000000E-01  3.12612470000E-01
  3.14861930000E-01  3.17123330000E-01  3.19396630000E-01  3.21681790000E-01
  3.23978750000E-01  3.26287470000E-01  3.28607880000E-01  3.30939930000E-01
  3.33283560000E-01  3.35638700000E-01  3.38005270000E-01  3.40383210000E-01
  3.42772440000E-01  3.45172870000E-01  3.47584410000E-01  3.50006990000E-01
  3.52440490000E-01  3.54884830000E-01  3.57339910000E-01  3.59805600000E-01
  3.62281800000E-01  3.64768400000E-01  3.67265270000E-01  3.69772280000E-01
  3.72289310000E-01  3.74816210000E-01  3.77352850000E-01  3.79899080000E-01
  3.82454740000E-01  3.85019690000E-01  3.87593750000E-01  3.90176760000E-01
  3.92768550000E-01  3.95368940000E-01  3.97977730000E-01  4.00594760000E-01
  4.03219800000E-01  4.05852670000E-01  4.08493160000E-01  4.11141050000E-01
  4.13796130000E-01  4.16458160000E-01  4.19126910000E-01  4.21802160000E-01
  4.24483640000E-01  4.27171120000E-01  4.29864330000E-01  4.32563020000E-01
  4.35266900000E-01  4.37975720000E-01  4.40689180000E-01  4.43406990000E-01
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