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 1.30000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 0.00000000000 1.30000000000 -1.00977997800 2P 2 1 2.00 0.00000000000 1.30000000000 -0.38871106500 0 Version Number C Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 4.00000000000 Z valence -10.81268860050 Total energy 0.00000 0.00000 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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0.00000000000E+00 6 Number of nonzero Dij 1 1 1.29495226872E-01 1 2 2.93161471602E+00 2 2 -4.56677996896E+00 3 3 1.10826655690E+01 3 4 -1.28746398740E+01 4 4 1.46062450377E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.10000000000E+00 2 1.10000000000E+00 3 1.10000000000E+00 1 1 0 i j (l(j)) -4.48921494178E-01 Q_int 0.00000000000E+00 -4.78893253527E-10 -1.94845698865E-09 -4.45950080603E-09 -8.06487082866E-09 -1.28195247850E-08 -1.87806097643E-08 -2.60075427370E-08 -3.45620939380E-08 -4.45084732120E-08 -5.59134194250E-08 -6.88462930491E-08 -8.33791720315E-08 -9.95869510634E-08 -1.17547444365E-07 -1.37341492113E-07 -1.59053070637E-07 -1.82769406510E-07 -2.08581094683E-07 -2.36582220789E-07 -2.66870487773E-07 -2.99547346996E-07 -3.34718133965E-07 -3.72492208854E-07 -4.12983101989E-07 -4.56308664453E-07 -5.02591224013E-07 -5.51957746530E-07 -6.04540003062E-07 -6.60474742850E-07 -7.19903872391E-07 -7.82974640814E-07 -8.49839831777E-07 -9.20657962110E-07 -9.95593487441E-07 -1.07481701505E-06 -1.15850552419E-06 -1.24684259417E-06 -1.34001864040E-06 -1.43823115877E-06 -1.54168497858E-06 -1.65059252432E-06 -1.76517408667E-06 -1.88565810296E-06 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