Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 4 3 5 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 10.00000000000 1.10000000000 -1.35220648992 2P 2 1 3.00 10.00000000000 1.10000000000 -0.53261098303 0 Version Number N Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 5.00000000000 Z valence -19.25068724347 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 729 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 3.00 0.00000000000E+00 6.05297272571E-06 1.22094125726E-05 1.84710881666E-05 2.48397983660E-05 3.13173727780E-05 3.79056722844E-05 4.46065895761E-05 5.14220496971E-05 5.83540105970E-05 6.54044636943E-05 7.25754344475E-05 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5.07127904615E-03 2.12340965015E-02 3.85035364801E-02 5.69062776276E-02 7.64652881272E-02 9.71991617289E-02 1.19121394621E-01 1.42239602422E-01 1.66554674968E-01 1.92059870144E-01 2.18739845529E-01 2.46569630802E-01 2.75513542610E-01 3.05524046871E-01 3.36540573593E-01 3.68488293072E-01 4.01276862728E-01 4.34799157961E-01 4.68930002695E-01 5.03524918784E-01 5.38418917016E-01 5.73425357427E-01 6.08334909846E-01 6.42914652228E-01 6.76907348686E-01 7.10030954943E-01 7.41978406108E-01 7.72417746651E-01 8.00992669819E-01 8.27323540458E-01 8.51008980183E-01 8.71628101299E-01 8.88743479728E-01 9.01904961157E-01 9.10654397644E-01 9.14531410674E-01 9.13080274671E-01 9.05858008007E-01 8.92443747172E-01 8.72449463058E-01 8.45532054271E-01 8.11406820924E-01 7.69862279473E-01 7.20776227779E-01 6.64132902752E-01 6.00040992948E-01 5.28752172748E-01 4.50679710784E-01 3.66416573377E-01 2.76752293937E-01 1.82687708955E-01 8.54464768939E-02 -1.35179040946E-02 -1.12521071147E-01 -2.09654463785E-01 -3.02801579546E-01 -3.89665883787E-01 -4.67812560497E-01 -5.34726334059E-01 -5.87887524579E-01 -6.24868272406E-01 -6.43450430013E-01 -6.41765903360E-01 -6.18459153257E-01 -5.72870052780E-01 -5.05233244257E-01 -4.16887444018E-01 -3.10484713722E-01 -1.90185468512E-01 -6.18198791642E-02 6.70096257634E-02 1.86916718289E-01 2.86849424282E-01 3.54384220278E-01 3.76247731961E-01 3.39120966888E-01 2.30779244383E-01 4.16107998110E-02 -2.33466596221E-01 -5.92716008194E-01 -1.02501901770E+00 -1.50726173818E+00 -2.00207631498E+00 -2.45662425814E+00 -2.80351829507E+00 -2.96553943724E+00 -2.86848563066E+00 -2.45955099708E+00 -1.74490586437E+00 -8.47072079972E-01 -1.28063275150E-01 1.02040644376E-02 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 6 Number of nonzero Dij 1 1 -3.88825991975E-02 1 2 4.34288436599E+00 2 2 -5.52755818461E+00 3 3 4.42458240535E+01 3 4 -4.17624928730E+01 4 4 3.91303425966E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 8.00000000000E-01 2 8.00000000000E-01 3 8.00000000000E-01 1 1 0 i j (l(j)) -5.02213561608E-01 Q_int 0.00000000000E+00 -5.90195753535E-10 -2.40130975378E-09 -5.49596057085E-09 -9.93927661809E-09 -1.57989886859E-08 -2.31455257685E-08 -3.20521142990E-08 -4.25948809121E-08 -5.48529588574E-08 -6.89085981921E-08 -8.48472798837E-08 -1.02757833961E-07 -1.22732561855E-07 -1.44867363072E-07 -1.69261866357E-07 -1.96019565501E-07 -2.25247959954E-07 -2.57058700405E-07 -2.91567739522E-07 -3.28895488008E-07 -3.69166976177E-07 -4.12512021228E-07 -4.59065400432E-07 -5.08967030423E-07 -5.62362152812E-07 -6.19401526350E-07 -6.80241625856E-07 -7.45044848155E-07 -8.13979725272E-07 -8.87221145125E-07 -9.64950579985E-07 -1.04735632297E-06 -1.13463373287E-06 -1.22698548754E-06 -1.32462184624E-06 -1.42776092120E-06 -1.53662895862E-06 -1.65146062968E-06 -1.77249933166E-06 -1.89999749965E-06 -2.03421692921E-06 -2.17542911035E-06 -2.32391557314E-06 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