Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 23 7 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 -0.79148625300 3P 3 1 2.00 0.00000000000 1.60000000000 -0.29819691000 0 Version Number Si Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 4.00000000000 Z valence -9.13712037618 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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5.04420834136E-02 6.93627356280E-02 8.94279151048E-02 1.10612375170E-01 1.32877379412E-01 1.56169248211E-01 1.80417888003E-01 2.05535351528E-01 2.31414433707E-01 2.57927371305E-01 2.84924667459E-01 3.12234125393E-01 3.39660124095E-01 3.66983238797E-01 3.93960263179E-01 4.20324746539E-01 4.45788125711E-01 4.70041581294E-01 4.92758709165E-01 5.13599151829E-01 5.32213287255E-01 5.48248106961E-01 5.61354391011E-01 5.71195267689E-01 5.77456237829E-01 5.79856692415E-01 5.78162922536E-01 5.72202534611E-01 5.61880140502E-01 5.47194040950E-01 5.28253562417E-01 5.05296487056E-01 4.78705918257E-01 4.49025652247E-01 4.16972960576E-01 3.83447401325E-01 3.49534023156E-01 3.16499082750E-01 2.85776071665E-01 2.58939717918E-01 2.37665347974E-01 2.23671046573E-01 2.18640056992E-01 2.24121251452E-01 2.41406097533E-01 2.71381615396E-01 3.14360395252E-01 3.69890996281E-01 4.36555118600E-01 5.11761981637E-01 5.91555462593E-01 6.70455868803E-01 7.41365700830E-01 7.95577252573E-01 8.22928971596E-01 8.12166293617E-01 7.51569796767E-01 6.29916462335E-01 4.37835081903E-01 1.69598554652E-01 -1.74644217033E-01 -5.86268169461E-01 -1.04540052083E+00 -1.51837671180E+00 -1.95613600801E+00 -2.29474294994E+00 -2.45992197888E+00 -2.37852230972E+00 -2.00124544013E+00 -1.34362314499E+00 -5.49809403055E-01 -3.98731841583E-02 4.85517875293E-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 4.17504606973E-01 1 2 4.05461929704E+00 2 2 -3.34190790394E+00 3 3 -1.85637785661E+00 3 4 4.31799349543E+00 4 4 -1.54087360331E+00 5 5 3.24729498129E+00 5 6 -5.46143064005E+00 6 6 9.04320814597E+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)) -5.99456496341E-01 Q_int 0.00000000000E+00 1.36710961143E-13 5.56072896858E-13 1.27233874062E-12 2.30032305636E-12 3.65542239463E-12 5.35363636089E-12 7.41158942040E-12 9.84655346519E-12 1.26764711692E-11 1.59199801587E-11 1.95964380260E-11 2.37259482160E-11 2.83293868142E-11 3.34284302685E-11 3.90455840768E-11 4.52042124721E-11 5.19285691414E-11 5.92438290123E-11 6.71761211449E-11 7.57525627659E-11 8.50012944856E-11 9.49515167368E-11 1.05633527479E-10 1.17078761208E-10 1.29319829323E-10 1.42390561889E-10 1.56326050844E-10 1.71162694712E-10 1.86938244849E-10 2.03691853308E-10 2.21464122341E-10 2.40297155631E-10 2.60234611279E-10 2.81321756633E-10 3.03605525008E-10 3.27134574365E-10 3.51959348013E-10 3.78132137415E-10 4.05707147148E-10 4.34740562117E-10 4.65290617078E-10 4.97417668558E-10 5.31184269263E-10 5.66655245034E-10 6.03897774469E-10 6.42981471279E-10 6.83978469476E-10 7.26963511503E-10 7.72014039385E-10 8.19210289025E-10 8.68635387736E-10 9.20375455129E-10 9.74519707470E-10 1.03116056562E-09 1.09039376668E-09 1.15231847950E-09 1.21703742408E-09 1.28465699517E-09 1.35528739006E-09 1.42904274071E-09 1.50604125052E-09 1.58640533569E-09 1.67026177150E-09 1.75774184356E-09 1.84898150425E-09 1.94412153459E-09 2.04330771152E-09 2.14669098104E-09 2.25442763723E-09 2.36667950740E-09 2.48361414355E-09 2.60540502047E-09 2.73223174053E-09 2.86428024554E-09 3.00174303580E-09 3.14481939672E-09 3.29371563314E-09 3.44864531164E-09 3.60982951123E-09 3.77749708248E-09 3.95188491565E-09 4.13323821784E-09 4.32181079975E-09 4.51786537212E-09 4.72167385237E-09 4.93351768168E-09 5.15368815290E-09 5.38248674971E-09 5.62022549725E-09 5.86722732482E-09 6.12382644094E-09 6.39036872114E-09 6.66721210908E-09 6.95472703128E-09 7.25329682605E-09 7.56331818701E-09 7.88520162174E-09 8.21937192612E-09 8.56626867476E-09 8.92634672820E-09 9.30007675742E-09 9.68794578614E-09 1.00904577517E-08 1.05081340850E-08 1.09415143101E-08 1.13911566646E-08 1.18576387406E-08 1.23415581479E-08 1.28435331998E-08 1.33642036218E-08 1.39042312852E-08 1.44643009645E-08 1.50451211223E-08 1.56474247188E-08 1.62719700508E-08 1.69195416178E-08 1.75909510188E-08 1.82870378780E-08 1.90086708040E-08 1.97567483796E-08 2.05322001870E-08 2.13359878664E-08 2.21691062118E-08 2.30325843030E-08 2.39274866769E-08 2.48549145382E-08 2.58160070112E-08 2.68119424340E-08 2.78439396975E-08 2.89132596287E-08 3.00212064219E-08 3.11691291175E-08 3.23584231326E-08 3.35905318417E-08 3.48669482125E-08 3.61892164962E-08 3.75589339761E-08 3.89777527746E-08 4.04473817220E-08 4.19695882890E-08 4.35462005837E-08 4.51791094174E-08 4.68702704400E-08 4.86217063474E-08 5.04355091645E-08 5.23138426049E-08 5.42589445108E-08 5.62731293756E-08 5.83587909520E-08 6.05184049481E-08 6.27545318150E-08 6.50698196289E-08 6.74670070706E-08 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