Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 3 2 2014 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.15000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 0.00000000000 1.15000000000 -1.35220440600 2P 2 1 3.00 0.00000000000 1.20000000000 -0.53262463000 0 Version Number N Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 5.00000000000 Z valence -19.48307360770 Total energy 0.00000 0.00000 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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-1.82287884662E+00 -2.01638096025E+00 -2.16323786020E+00 -2.23198762219E+00 -2.18846880937E+00 -2.00132504918E+00 -1.65194975071E+00 -1.15127990954E+00 -5.71789700926E-01 -1.08144761089E-01 6.95391633650E-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 6 Number of nonzero Dij 1 1 4.58576905990E-01 1 2 3.26579279689E+00 2 2 -5.23573485587E+00 3 3 1.36306310322E+01 3 4 -1.54166471308E+01 4 4 1.70993735871E+01 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 1 1 0 i j (l(j)) -4.14000158475E-01 Q_int 0.00000000000E+00 -5.23063730679E-10 -2.12817193400E-09 -4.87082060839E-09 -8.80873011212E-09 -1.40019271718E-08 -2.05128298091E-08 -2.84063352884E-08 -3.77499111906E-08 -4.86136897223E-08 -6.10705653740E-08 -7.51962960452E-08 -9.10696077551E-08 -1.08772303067E-07 -1.28389373356E-07 -1.50009115049E-07 -1.73723249987E-07 -1.99627050040E-07 -2.27819466137E-07 -2.58403261847E-07 -2.91485151694E-07 -3.27175944351E-07 -3.65590690884E-07 -4.06848838246E-07 -4.51074388166E-07 -4.98396061659E-07 -5.48947469322E-07 -6.02867287640E-07 -6.60299441499E-07 -7.21393293127E-07 -7.86303837683E-07 -8.55191905733E-07 -9.28224372844E-07 -1.00557437655E-06 -1.08742154094E-06 -1.17395220916E-06 -1.26535968403E-06 -1.36184447717E-06 -1.46361456685E-06 -1.57088566486E-06 -1.68388149279E-06 -1.80283406797E-06 -1.92798399943E-06 -2.05958079427E-06 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