Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 13 5 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 -0.56982887100 3P 3 1 1.00 0.00000000000 1.70000000000 -0.19933393100 0 Version Number Al Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 3.00000000000 Z valence -6.43282807590 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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-2.28387254157E-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 7.84204084000E+00 2 2 5.42275082714E+00 3 3 6.91720554313E-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)) 1.85798417094E-01 Q_int 0.00000000000E+00 3.09248614379E-11 1.25787114315E-10 2.87810860263E-10 5.20347245423E-10 8.26879065166E-10 1.21102552991E-09 1.67654719757E-09 2.22735107841E-09 2.86749591812E-09 3.60119766548E-09 4.43283513059E-09 5.36695584064E-09 6.40828209966E-09 7.56171725947E-09 8.83235220897E-09 1.02254720894E-08 1.17465632430E-08 1.34013204036E-08 1.51956541374E-08 1.71356985412E-08 1.92278192095E-08 2.14786214769E-08 2.38949589477E-08 2.64839423199E-08 2.92529485172E-08 3.22096301352E-08 3.53619252170E-08 3.87180673659E-08 4.22865962093E-08 4.60763682236E-08 5.00965679350E-08 5.43567195064E-08 5.88666987258E-08 6.36367454087E-08 6.86774762289E-08 7.39998979928E-08 7.96154213716E-08 8.55358751081E-08 9.17735207130E-08 9.83410676691E-08 1.05251689159E-07 1.12519038335E-07 1.20157265151E-07 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