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 2.40000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4D 4 2 10.00 0.00000000000 1.65000000000 -2.29190959000 5S 5 0 1.50 0.00000000000 1.80000000000 -1.41529120600 5P 5 1 0.00 0.00000000000 2.00000000000 -0.89609542200 0 Version Number In Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 13.00000000000 Z valence -131.95835679100 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 889 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4D 2 10.00 5S 0 1.50 5P 1 0.00 0.00000000000E+00 1.16776553801E-09 2.36509320137E-09 3.59273135882E-09 4.85144732420E-09 6.14202783594E-09 7.46527954888E-09 8.82202953842E-09 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0.00000000000E+00 0.00000000000E+00 9 Number of nonzero Dij 1 1 5.80085600991E+00 1 2 1.49470316297E+00 2 2 3.11633942205E-01 3 3 1.12356245448E-01 3 4 -3.44238638996E+00 4 4 1.74849278484E+00 5 5 6.82879698118E-01 5 6 -3.48829140138E+00 6 6 1.40708405013E+01 6 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.40000000000E+00 2 1.40000000000E+00 3 1.40000000000E+00 4 1.40000000000E+00 5 1.40000000000E+00 1 1 0 i j (l(j)) -2.12651660013E-01 Q_int 0.00000000000E+00 1.04361449849E-17 4.28080370710E-17 9.87821067166E-17 1.80123938833E-16 2.88703703731E-16 4.26501875310E-16 5.95615251437E-16 7.98263292228E-16 1.03679479279E-15 1.31369490777E-15 1.63159254605E-15 1.99326815479E-15 2.40166191297E-15 2.85988235586E-15 3.37121545259E-15 3.93913416052E-15 4.56730848093E-15 5.25961604224E-15 6.02015323794E-15 6.85324694810E-15 7.76346687462E-15 8.75563852197E-15 9.83485685705E-15 1.10065006831E-14 1.22762477646E-14 1.36500907424E-14 1.51343538797E-14 1.67357106810E-14 1.84612024317E-14 2.03182577024E-14 2.23147128712E-14 2.44588337136E-14 2.67593381179E-14 2.92254199823E-14 3.18667743551E-14 3.46936238833E-14 3.77167466354E-14 4.09475053711E-14 4.43978783311E-14 4.80804916265E-14 5.20086533096E-14 5.61963892135E-14 6.06584806513E-14 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