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 -6.05436252300 5P 5 1 6.00 0.00000000000 1.60000000000 -3.74037025700 6S 6 0 0.00 0.00000000000 1.50000000000 -1.30817084900 6P 6 1 0.00 0.00000000000 1.60000000000 -0.89132020700 5D 5 2 2.00 0.00000000000 1.75000000000 -1.25073552200 0 Version Number Hf Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 12.00000000000 Z valence -156.31274559800 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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0.00000000000E+00 0.00000000000E+00 13 Number of nonzero Dij 1 1 -4.00658201225E+00 1 2 -1.07100316889E+00 1 3 1.63873525372E+00 2 2 -4.12025577352E+00 2 3 3.81306056764E+00 3 3 -5.08535836918E+00 4 4 -3.76333388097E+00 4 5 -1.48044872524E+00 5 5 -1.79382143507E+00 6 6 -2.14637298582E+00 6 7 -1.71837318790E-01 7 7 2.01336882924E-01 8 8 9.18333517016E-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)) -6.49666619872E-01 Q_int 0.00000000000E+00 -3.44092841076E-12 -1.39999905283E-11 -3.20422618891E-11 -5.79474508060E-11 -9.21104378570E-11 -1.34941834573E-10 -1.86868561999E-10 -2.48334449813E-10 -3.19800856748E-10 -4.01747313023E-10 -4.94672185597E-10 -5.99093367007E-10 -7.15548988633E-10 -8.44598159247E-10 -9.86821729713E-10 -1.14282308477E-09 -1.31322896282E-09 -1.49869030476E-09 -1.69988313273E-09 -1.91750946005E-09 -2.15229823317E-09 -2.40500630697E-09 -2.67641945448E-09 -2.96735341215E-09 -3.27865496208E-09 -3.61120305233E-09 -3.96590995678E-09 -4.34372247575E-09 -4.74562317904E-09 -5.17263169258E-09 -5.62580603043E-09 -6.10624397367E-09 -6.61508449769E-09 -7.15350924970E-09 -7.72274407821E-09 -8.32406061611E-09 -8.95877791948E-09 -9.62826416385E-09 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