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 -1.36392854000 2P 2 1 3.00 0.00000000000 1.20000000000 -0.52145229200 0 Version Number N Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 5.00000000000 Z valence -19.52743263610 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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-1.82116337303E+00 -2.01453175399E+00 -2.16135500054E+00 -2.23016658131E+00 -2.18679438128E+00 -1.99986975264E+00 -1.65078249346E+00 -1.15049446973E+00 -5.71634219034E-01 -1.08157232213E-01 6.95838204517E-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 4.30780550384E-01 1 2 3.24955351260E+00 2 2 -5.22705987571E+00 3 3 1.33498018667E+01 3 4 -1.51121141305E+01 4 4 1.67776326813E+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)) -4.15232929360E-01 Q_int 0.00000000000E+00 -5.22614005221E-10 -2.12634215105E-09 -4.86663272097E-09 -8.80115644581E-09 -1.39898884418E-08 -2.04951930642E-08 -2.83819117794E-08 -3.77174541602E-08 -4.85718921143E-08 -6.10180574584E-08 -7.51316429561E-08 -9.09913069388E-08 -1.08678781637E-07 -1.28278985350E-07 -1.49880138591E-07 -1.73573884337E-07 -1.99455412547E-07 -2.27623589071E-07 -2.58181089124E-07 -2.91234535479E-07 -3.26894641535E-07 -3.65276359442E-07 -4.06499033452E-07 -4.50686558680E-07 -4.97967545468E-07 -5.48475489537E-07 -6.02348948141E-07 -6.59731722421E-07 -7.20773046186E-07 -7.85627781334E-07 -8.54456620151E-07 -9.27426294728E-07 -1.00470979374E-06 -1.08648658684E-06 -1.17294285695E-06 -1.26427174071E-06 -1.36067357733E-06 -1.46235616627E-06 -1.56953503387E-06 -1.68243370935E-06 -1.80128401056E-06 -1.92632633967E-06 -2.05780998927E-06 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