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 -1.36393068723 2P 2 1 3.00 10.00000000000 1.10000000000 -0.52143879723 0 Version Number N Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 5.00000000000 Z valence -19.30116713812 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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-1.06707097171E-03 1.50303665203E-02 3.22387488424E-02 5.05850504613E-02 7.00925327838E-02 9.07800777323E-02 1.12661462470E-01 1.35744573334E-01 1.60030558324E-01 1.85512917221E-01 2.12176530364E-01 2.39996627376E-01 2.68937698469E-01 2.98952352660E-01 3.29980129036E-01 3.61946268480E-01 3.94760456634E-01 4.28315550621E-01 4.62486305625E-01 4.97128120230E-01 5.32075824138E-01 5.67142534905E-01 6.02118615907E-01 6.36770772406E-01 6.70841328073E-01 7.04047730144E-01 7.36082337451E-01 7.66612552601E-01 7.95281364596E-01 8.21708376792E-01 8.45491399182E-01 8.66208691712E-01 8.83421948729E-01 8.96680119887E-01 9.05524163913E-01 9.09492832295E-01 9.08129576736E-01 9.00990667439E-01 8.87654598293E-01 8.67732837693E-01 8.40881959984E-01 8.06817160582E-01 7.65327115280E-01 7.16290092232E-01 6.59691158213E-01 5.95640240720E-01 5.24390711206E-01 4.46358040419E-01 3.62137944977E-01 2.72523293299E-01 1.78518869039E-01 8.13529049279E-02 -1.75159013311E-02 -1.16397384527E-01 -2.13376627836E-01 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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 -1.50230943952E-01 1 2 4.31297424640E+00 2 2 -5.35523047338E+00 3 3 4.27539332075E+01 3 4 -4.04351387602E+01 4 4 3.79594666439E+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)) -5.04381784876E-01 Q_int 0.00000000000E+00 -6.15058553143E-10 -2.50246819629E-09 -5.72748539206E-09 -1.03579821768E-08 -1.64645425928E-08 -2.41205625513E-08 -3.34023532486E-08 -4.43892482575E-08 -5.71637144233E-08 -7.18114666988E-08 -8.84215870534E-08 -1.07086647602E-07 -1.27902838098E-07 -1.50970097945E-07 -1.76392252885E-07 -2.04277156526E-07 -2.34736836875E-07 -2.67887648062E-07 -3.03850427416E-07 -3.42750658105E-07 -3.84718637514E-07 -4.29889651569E-07 -4.78404155215E-07 -5.30407959264E-07 -5.86052423827E-07 -6.45494658571E-07 -7.08897730027E-07 -7.76430876210E-07 -8.48269728782E-07 -9.24596543050E-07 -1.00560043605E-06 -1.09147763301E-06 -1.18243172245E-06 -1.27867392032E-06 -1.38042334335E-06 -1.48790729201E-06 -1.60136154344E-06 -1.72103065466E-06 -1.84716827639E-06 -1.98003747788E-06 -2.11991108319E-06 -2.26707201920E-06 -2.42181367581E-06 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