Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 23 7 2013 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.70000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.70000000000 -0.57591379900 3P 3 1 1.00 0.00000000000 1.70000000000 -0.20497716900 0 Version Number Al Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 3.00000000000 Z valence -6.33627322592 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 893 Number of points in mesh 2 3 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 1.00 0.00000000000E+00 1.17887612203E-06 2.37756482565E-06 3.59639908765E-06 4.83571748095E-06 6.09586426862E-06 7.37718949954E-06 8.68004910562E-06 1.00048050007E-05 1.13518251810E-05 1.27214838275E-05 1.41141614098E-05 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-2.43990974098E-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 3 Number of nonzero Dij 1 1 8.16947440371E+00 2 2 5.26364101613E+00 3 3 6.24520111692E-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 4 9.00000000000E-01 5 9.00000000000E-01 1 1 0 i j (l(j)) 2.13258192952E-01 Q_int 0.00000000000E+00 3.26746656741E-11 1.32904456649E-10 3.04095902106E-10 5.49789764225E-10 8.73665903451E-10 1.27954831397E-09 1.77141033526E-09 2.35338004576E-09 3.02974584494E-09 3.80496223023E-09 4.68365577553E-09 5.67063131823E-09 6.77087836186E-09 7.98957770187E-09 9.33210828210E-09 1.08040542900E-08 1.24112124984E-08 1.41595998633E-08 1.60554613849E-08 1.81052782423E-08 2.03157762110E-08 2.26939343715E-08 2.52469941217E-08 2.79824685005E-08 3.09081518356E-08 3.40321297256E-08 3.73627893672E-08 4.09088302412E-08 4.46792751679E-08 4.86834817450E-08 5.29311541814E-08 5.74323555405E-08 6.21975204067E-08 6.72374679891E-08 7.25634156790E-08 7.81869930746E-08 8.41202564910E-08 9.03757039700E-08 9.69662908088E-08 1.03905445624E-07 1.11207086968E-07 1.18885640523E-07 1.26956056881E-07 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