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 -1.35460642700 2P 2 1 3.00 0.00000000000 1.20000000000 -0.51750933300 0 Version Number N Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 5.00000000000 Z valence -19.46027590460 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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-1.82192446614E+00 -2.01560693011E+00 -2.16267705621E+00 -2.23165007982E+00 -2.18833538068E+00 -2.00134583050E+00 -1.65205276536E+00 -1.15139903033E+00 -5.71980873628E-01 -1.08204864132E-01 6.95979648310E-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 4.30066763340E-01 1 2 3.27804135358E+00 2 2 -5.27133226066E+00 3 3 1.33314918026E+01 3 4 -1.50922786169E+01 4 4 1.67541307997E+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)) -4.15656995007E-01 Q_int 0.00000000000E+00 -5.23733449490E-10 -2.13089679656E-09 -4.87705709546E-09 -8.82000860828E-09 -1.40198549185E-08 -2.05390939664E-08 -2.84427061095E-08 -3.77982453125E-08 -4.86759335777E-08 -6.11487587285E-08 -7.52925756627E-08 -9.11862111987E-08 -1.08911572638E-07 -1.28553760177E-07 -1.50201183296E-07 -1.73945681273E-07 -1.99882647965E-07 -2.28111160993E-07 -2.58734115504E-07 -2.91858362657E-07 -3.27594853000E-07 -3.66058784912E-07 -4.07369758281E-07 -4.51651933606E-07 -4.99034196715E-07 -5.49650329276E-07 -6.03639185335E-07 -6.61144874055E-07 -7.22316948905E-07 -7.87310603499E-07 -8.56286874326E-07 -9.29412850620E-07 -1.00686189160E-06 -1.08881385134E-06 -1.17545531157E-06 -1.26697982262E-06 -1.36358815284E-06 -1.46548854680E-06 -1.57289699248E-06 -1.68603749792E-06 -1.80514237752E-06 -1.93045254839E-06 -2.06221783710E-06 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