Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 4 3 5 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 2S 2 0 2.00 10.00000000000 1.10000000000 -0.99904802885 2P 2 1 2.00 10.00000000000 1.10000000000 -0.38398559892 0 Version Number C Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA LYP B88 BLYP BLYP Exchange-Correlation functional 4.00000000000 Z valence -10.70828263569 Total energy 0.0000000 0.0000000 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 0.00000000000E+00 0.00000000000E+00 6 Number of nonzero Dij 1 1 -1.41527600250E+00 1 2 6.58830179441E+00 2 2 -7.04535655372E+00 3 3 3.42205577773E+01 3 4 -2.76461724864E+01 4 4 2.20925257405E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 8.00000000000E-01 2 8.00000000000E-01 3 8.00000000000E-01 1 1 0 i j (l(j)) -6.10927327647E-01 Q_int 0.00000000000E+00 -8.80945599521E-10 -3.58427394239E-09 -8.20345156453E-09 -1.48356912748E-08 -2.35820902737E-08 -3.45477731876E-08 -4.78420401893E-08 -6.35785203854E-08 -8.18753306514E-08 -1.02855240109E-07 -1.26645840438E-07 -1.53379722233E-07 -1.83194657612E-07 -2.16233789293E-07 -2.52645826374E-07 -2.92585247038E-07 -3.36212508435E-07 -3.83694263988E-07 -4.35203588382E-07 -4.90920210501E-07 -5.51030754598E-07 -6.15728989978E-07 -6.85216089495E-07 -7.59700897167E-07 -8.39400205233E-07 -9.24539040972E-07 -1.01535096363E-06 -1.11207837183E-06 -1.21497282173E-06 -1.32429535651E-06 -1.44031684733E-06 -1.56331834631E-06 -1.69359145201E-06 -1.83143868764E-06 -1.97717389259E-06 -2.13112262778E-06 -2.29362259517E-06 -2.46502407200E-06 -2.64569036034E-06 -2.83599825233E-06 -3.03633851174E-06 -3.24711637252E-06 -3.46875205468E-06 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