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 2.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5S 5 0 2.00 0.00000000000 1.50000000000 -6.03435808600 5P 5 1 6.00 0.00000000000 1.60000000000 -3.72243819300 6S 6 0 0.00 0.00000000000 1.50000000000 -1.27835090100 6P 6 1 0.00 0.00000000000 1.60000000000 -0.87093604300 5D 5 2 2.00 0.00000000000 1.75000000000 -1.22698887600 0 Version Number Hf Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 12.00000000000 Z valence -156.32586921500 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 3 Max angular momentum component 921 Number of points in mesh 5 8 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5S 0 2.00 5P 1 6.00 6S 0 0.00 6P 1 0.00 5D 2 2.00 0.00000000000E+00 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-1.08965335292E+00 -1.13097442703E+00 -1.16975660258E+00 -1.20528955889E+00 -1.23680584285E+00 -1.26348811230E+00 -1.28447999280E+00 -1.29890126469E+00 -1.30586815351E+00 -1.30451953310E+00 -1.29404984716E+00 -1.27374950935E+00 -1.24305341323E+00 -1.20159796196E+00 -1.14928665558E+00 -1.08636372170E+00 -1.01349446288E+00 -9.31849859002E-01 -8.43191392406E-01 -7.49949946715E-01 -6.55289804146E-01 -5.63145051992E-01 -4.84120516889E-01 -3.92212681646E-01 -2.97048486714E-01 -2.05690208354E-01 -1.25254935452E-01 -6.21161766645E-02 -2.08110002015E-02 -2.33954741454E-03 -6.93826175923E-04 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 0.00000000000E+00 13 Number of nonzero Dij 1 1 -4.01405732276E+00 1 2 -1.05830021228E+00 1 3 1.65927842511E+00 2 2 -4.09572204891E+00 2 3 3.76018565473E+00 3 3 -4.99819951441E+00 4 4 -3.76384198907E+00 4 5 -1.48453766073E+00 5 5 -1.81725191471E+00 6 6 -2.17546267552E+00 6 7 -1.88892332563E-01 7 7 1.76910608803E-01 8 8 9.12838218048E-01 6 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.20000000000E+00 2 1.20000000000E+00 3 1.20000000000E+00 4 1.20000000000E+00 5 1.20000000000E+00 6 1.20000000000E+00 7 1.20000000000E+00 1 1 0 i j (l(j)) -6.51570474541E-01 Q_int 0.00000000000E+00 -3.45132243327E-12 -1.40422803406E-11 -3.21390520432E-11 -5.81224928400E-11 -9.23886761258E-11 -1.35349453768E-10 -1.87433036410E-10 -2.49084594412E-10 -3.20766880130E-10 -4.02960872306E-10 -4.96166443314E-10 -6.00903050091E-10 -7.17710449554E-10 -8.47149439375E-10 -9.89802624996E-10 -1.14627521380E-09 -1.31719583739E-09 -1.50321740294E-09 -1.70501797468E-09 -1.92330168648E-09 -2.15879968673E-09 -2.41227111655E-09 -2.68450412255E-09 -2.97631690528E-09 -3.28855880471E-09 -3.62211142395E-09 -3.97788979257E-09 -4.35684357093E-09 -4.75995829685E-09 -5.18825667625E-09 -5.64279991915E-09 -6.12468912269E-09 -6.63506670276E-09 -7.17511787600E-09 -7.74607219382E-09 -8.34920513034E-09 -8.98583972613E-09 -9.65734828955E-09 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