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 -1.01313979761 2P 2 1 2.00 10.00000000000 1.10000000000 -0.39291510112 0 Version Number C Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 4.00000000000 Z valence -10.74400579838 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 1 Max angular momentum component 721 Number of points in mesh 2 4 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 2S 0 2.00 2P 1 2.00 0.00000000000E+00 7.06180151333E-06 1.42443146680E-05 2.15496028610E-05 2.89797647603E-05 3.65369349077E-05 4.42232843318E-05 5.20410211722E-05 5.99923913133E-05 6.80796790299E-05 7.63052076433E-05 8.46713401887E-05 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-7.25197877233E-01 -7.57258881175E-01 -7.69842747795E-01 -7.61054115458E-01 -7.29538748101E-01 -6.74673211507E-01 -5.96771292594E-01 -4.97300260711E-01 -3.79096496502E-01 -2.46565586012E-01 -1.05846661710E-01 3.50854245924E-02 1.66413424766E-01 2.76607179592E-01 3.52737061915E-01 3.81025116572E-01 3.47690755167E-01 2.40145717702E-01 4.85819192880E-02 -2.32029601935E-01 -5.99557828044E-01 -1.04205854594E+00 -1.53508697496E+00 -2.03941277963E+00 -2.49987155698E+00 -2.84652433632E+00 -2.99992978967E+00 -2.88324177288E+00 -2.44462310649E+00 -1.69728808233E+00 -7.80187758567E-01 -9.40964015318E-02 8.26819082766E-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 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 -1.42440520189E+00 1 2 6.71854212462E+00 2 2 -7.39243884939E+00 3 3 3.39206825981E+01 3 4 -2.73044264172E+01 4 4 2.17355416940E+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)) -6.11199500430E-01 Q_int 0.00000000000E+00 -8.77497856382E-10 -3.57024622502E-09 -8.17134584331E-09 -1.47776290598E-08 -2.34897974127E-08 -3.44125641035E-08 -4.76548015389E-08 -6.33296941169E-08 -8.15548964411E-08 -1.02452697153E-07 -1.26150188580E-07 -1.52779442399E-07 -1.82477691531E-07 -2.15387518479E-07 -2.51657050341E-07 -2.91440160720E-07 -3.34896678789E-07 -3.82192605743E-07 -4.33500338906E-07 -4.88998903761E-07 -5.48874194174E-07 -6.13319221098E-07 -6.82534370060E-07 -7.56727667731E-07 -8.36115057892E-07 -9.20920687139E-07 -1.01137720065E-06 -1.10772604835E-06 -1.21021780192E-06 -1.31911248288E-06 -1.43467990229E-06 -1.55720001234E-06 -1.68696327034E-06 -1.82427101554E-06 -1.96943585906E-06 -2.12278208768E-06 -2.28464608170E-06 -2.45537674750E-06 -2.63533596530E-06 -2.82489905258E-06 -3.02445524381E-06 -3.23440818699E-06 -3.45517645750E-06 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