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 -1.00225144800 2P 2 1 2.00 0.00000000000 1.30000000000 -0.38489618600 0 Version Number C Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 4.00000000000 Z valence -10.76702204920 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 1.32307378819E-01 1 2 2.97284085280E+00 2 2 -4.65913877147E+00 3 3 1.10858844272E+01 3 4 -1.28688065413E+01 4 4 1.45871807961E+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)) -4.49274565319E-01 Q_int 0.00000000000E+00 -4.79765221591E-10 -1.95200473599E-09 -4.46762065791E-09 -8.07955533245E-09 -1.28428665550E-08 -1.88148054682E-08 -2.60548972287E-08 -3.46250245426E-08 -4.45895141678E-08 -5.60152264882E-08 -6.89716482673E-08 -8.35309886919E-08 -9.97682788209E-08 -1.17761474559E-07 -1.37591563276E-07 -1.59342674205E-07 -1.83102192742E-07 -2.08960878793E-07 -2.37012989301E-07 -2.67356405110E-07 -3.00092762301E-07 -3.35327588176E-07 -3.73170442033E-07 -4.13735060913E-07 -4.57139510483E-07 -5.03506341242E-07 -5.52962750230E-07 -6.05640748435E-07 -6.61677334090E-07 -7.21214672073E-07 -7.84400279626E-07 -8.51387218594E-07 -9.22334294434E-07 -9.97406262214E-07 -1.07677403985E-06 -1.16061492885E-06 -1.24911284277E-06 -1.34245854374E-06 -1.44084988724E-06 -1.54449207552E-06 -1.65359791986E-06 -1.76838811203E-06 -1.88909150532E-06 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