Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 22 9 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.60000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.55000000000 -6.55553300800 3P 3 1 6.00 0.00000000000 1.55000000000 -4.44627847900 4S 4 0 1.60 0.00000000000 1.55000000000 -0.91154905100 3D 3 2 3.40 0.00000000000 1.70000000000 -1.23032724500 0 Version Number Cr Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 14.00000000000 Z valence -173.90062681100 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 857 Number of points in mesh 4 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 6.00 4S 0 1.60 3D 2 3.40 0.00000000000E+00 1.76545037833E-06 3.56107866699E-06 5.38740071525E-06 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9.57049601767E-01 9.35510708416E-01 9.11040902537E-01 8.83639639844E-01 8.53328124793E-01 8.20150305263E-01 7.84173474653E-01 7.45488382572E-01 7.04208761801E-01 6.60470165416E-01 6.14428019793E-01 5.66254795513E-01 5.16136214532E-01 4.64266433161E-01 4.10842160267E-01 3.56055723333E-01 3.00087132027E-01 2.43095273905E-01 1.85208446655E-01 1.26514550052E-01 6.70513721609E-02 6.79756276720E-03 -5.43349621815E-02 -1.16506245519E-01 -1.79950024348E-01 -2.44970647544E-01 -3.11933672786E-01 -3.81248471031E-01 -4.53341074019E-01 -5.28615474983E-01 -6.07401723033E-01 -6.89889452963E-01 -7.76046074947E-01 -8.65519770468E-01 -9.57528819167E-01 -1.05074073986E+00 -1.14314737724E+00 -1.23194557305E+00 -1.31343751885E+00 -1.38297044248E+00 -1.43494193717E+00 -1.46290498736E+00 -1.45981530158E+00 -1.41847247361E+00 -1.33221477639E+00 -1.19593354717E+00 -1.00747475045E+00 -7.69487362467E-01 -4.91267802333E-01 -2.39706388016E-01 -5.73690558097E-02 1.11310544976E-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 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 -4.94381223965E-01 1 2 3.95680780908E-01 2 2 3.42651222076E-02 3 3 4.76449292255E+00 3 4 -1.40728922284E+01 4 4 3.78920881702E+01 5 5 4.66415686627E+01 5 6 5.57105469800E+01 6 6 6.63708897629E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 9.50000000000E-01 2 9.50000000000E-01 3 9.50000000000E-01 4 9.50000000000E-01 5 9.50000000000E-01 1 1 0 i j (l(j)) -1.69179557456E-01 Q_int 0.00000000000E+00 -3.10331778653E-11 -1.26263654540E-10 -2.88983987330E-10 -5.22618704172E-10 -8.30729169190E-10 -1.21701862141E-09 -1.68533739270E-09 -2.23968831114E-09 -2.88423229646E-09 -3.62329415410E-09 -4.46136857491E-09 -5.40312634777E-09 -6.45342079233E-09 -7.61729441990E-09 -8.89998583014E-09 -1.03069368520E-08 -1.18437999372E-08 -1.35164458159E-08 -1.53309714216E-08 -1.72937080981E-08 -1.94112300947E-08 -2.16903633619E-08 -2.41381946584E-08 -2.67620809777E-08 -2.95696593090E-08 -3.25688567410E-08 -3.57679009218E-08 -3.91753308884E-08 -4.28000082759E-08 -4.66511289228E-08 -5.07382348834E-08 -5.50712268639E-08 -5.96603770951E-08 -6.45163426573E-08 -6.96501792749E-08 -7.50733555934E-08 -8.07977679600E-08 -8.68357557215E-08 -9.32001170599E-08 -9.99041253830E-08 -1.06961546291E-07 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