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 1.70000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.60000000000 -0.79473123500 3P 3 1 2.00 0.00000000000 1.60000000000 -0.29996179500 0 Version Number Si Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 4.00000000000 Z valence -9.19868380872 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 899 Number of points in mesh 2 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 2.00 0.00000000000E+00 1.09467068474E-06 2.20773876668E-06 3.33951343854E-06 4.49030908945E-06 5.66044539229E-06 6.85024739243E-06 8.06004559807E-06 9.29017607207E-06 1.05409805252E-05 1.18128064113E-05 1.31060070233E-05 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-2.61532389429E-02 -9.09887976712E-03 9.12212908058E-03 2.84903439174E-02 4.89731099418E-02 7.05231041542E-02 9.30768561503E-02 1.16553298098E-01 1.40852352973E-01 1.65853622412E-01 1.91415205085E-01 2.17372718099E-01 2.43538568884E-01 2.69701570097E-01 2.95626960608E-01 3.21056947973E-01 3.45711845023E-01 3.69291946718E-01 3.91480221336E-01 4.11945972294E-01 4.30349571788E-01 4.46348385024E-01 4.59604011614E-01 4.69790908586E-01 4.76606503581E-01 4.79782788463E-01 4.79099427444E-01 4.74398255104E-01 4.65599049034E-01 4.52716276152E-01 4.35876466928E-01 4.15335636361E-01 3.91496089356E-01 3.64921638391E-01 3.36350145692E-01 3.06701940775E-01 2.77082480808E-01 2.48777313091E-01 2.23237118278E-01 2.02050436287E-01 1.86901460363E-01 1.79510263535E-01 1.81552907430E-01 1.94559245019E-01 2.19786850762E-01 2.58070634908E-01 3.09649277628E-01 3.73971978243E-01 4.49492099371E-01 5.33458471270E-01 6.21720316714E-01 7.08568198886E-01 7.86641062606E-01 8.46937995442E-01 8.78982651551E-01 8.71197076569E-01 8.11548948393E-01 6.88539040307E-01 4.92590758507E-01 2.17884693710E-01 -1.35359922611E-01 -5.58230750585E-01 -1.03029704129E+00 -1.51702179851E+00 -1.96813918172E+00 -2.31820770477E+00 -2.49126360842E+00 -2.41254618845E+00 -2.03170455485E+00 -1.36460364949E+00 -5.58275796507E-01 -4.15986328800E-02 5.31363380883E-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 9 Number of nonzero Dij 1 1 4.51851592470E-01 1 2 3.96468616471E+00 2 2 -3.38495494153E+00 3 3 -1.79040046194E+00 3 4 4.39561307523E+00 4 4 -1.83222980400E+00 5 5 3.38449686800E+00 5 6 -5.65295326715E+00 6 6 9.29268593670E+00 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 9.00000000000E-01 2 9.00000000000E-01 3 9.00000000000E-01 4 9.00000000000E-01 5 9.00000000000E-01 1 1 0 i j (l(j)) -5.92586410702E-01 Q_int 0.00000000000E+00 2.99927926358E-13 1.21995917176E-12 2.79136301379E-12 5.04664088317E-12 8.01957102288E-12 1.17452547098E-11 1.62601640924E-11 2.16021917003E-11 2.78107016828E-11 3.49265828366E-11 4.29923034837E-11 5.20519682625E-11 6.21513768994E-11 7.33380850272E-11 8.56614671227E-11 9.91727816332E-11 1.13925238371E-10 1.29974068249E-10 1.47376595444E-10 1.66192312064E-10 1.86482955410E-10 2.08312587921E-10 2.31747679893E-10 2.56857195064E-10 2.83712679175E-10 3.12388351587E-10 3.42961200091E-10 3.75511078982E-10 4.10120810543E-10 4.46876290035E-10 4.85866594319E-10 5.27184094239E-10 5.70924570886E-10 6.17187335882E-10 6.66075355820E-10 7.17695381002E-10 7.72158078623E-10 8.29578170546E-10 8.90074575844E-10 9.53770558244E-10 1.02079387867E-09 1.09127695302E-09 1.16535701543E-09 1.24317628710E-09 1.32488215098E-09 1.41062733247E-09 1.50057008632E-09 1.59487438995E-09 1.69371014348E-09 1.79725337659E-09 1.90568646251E-09 2.01919833936E-09 2.13798473912E-09 2.26224842444E-09 2.39219943361E-09 2.52805533392E-09 2.67004148377E-09 2.81839130371E-09 2.97334655682E-09 3.13515763874E-09 3.30408387762E-09 3.48039384433E-09 3.66436567336E-09 3.85628739473E-09 4.05645727723E-09 4.26518418345E-09 4.48278793701E-09 4.70959970228E-09 4.94596237725E-09 5.19223099969E-09 5.44877316739E-09 5.71596947265E-09 5.99421395168E-09 6.28391454947E-09 6.58549360044E-09 6.89938832561E-09 7.22605134677E-09 7.56595121822E-09 7.91957297669E-09 8.28741871011E-09 8.67000814578E-09 9.06787925864E-09 9.48158890038E-09 9.91171344997E-09 1.03588494865E-08 1.08236144850E-08 1.13066475360E-08 1.18086100894E-08 1.23301867245E-08 1.28720859455E-08 1.34350410043E-08 1.40198107521E-08 1.46271805193E-08 1.52579630252E-08 1.59129993201E-08 1.65931597580E-08 1.72993450031E-08 1.80324870712E-08 1.87935504055E-08 1.95835329900E-08 2.04034675005E-08 2.12544224948E-08 2.21375036434E-08 2.30538550025E-08 2.40046603303E-08 2.49911444476E-08 2.60145746457E-08 2.70762621414E-08 2.81775635820E-08 2.93198826016E-08 3.05046714302E-08 3.17334325580E-08 3.30077204555E-08 3.43291433534E-08 3.56993650817E-08 3.71201069730E-08 3.85931498291E-08 4.01203359555E-08 4.17035712645E-08 4.33448274506E-08 4.50461442390E-08 4.68096317117E-08 4.86374727115E-08 5.05319253288E-08 5.24953254724E-08 5.45300895280E-08 5.66387171071E-08 5.88237938890E-08 6.10879945601E-08 6.34340858523E-08 6.58649296855E-08 6.83834864165E-08 7.09928181979E-08 7.36960924524E-08 7.64965854635E-08 7.93976860899E-08 8.24028996046E-08 8.55158516652E-08 8.87402924194E-08 9.20801007488E-08 9.55392886580E-08 9.91220058120E-08 1.02832544228E-07 1.06675343126E-07 1.10654993946E-07 1.14776245532E-07 1.19044009493E-07 1.23463365753E-07 1.28039568273E-07 1.32778050988E-07 1.37684433928E-07 1.42764529554E-07 1.48024349312E-07 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