Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 31 3 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 -2.29154940400 5S 5 0 1.50 0.00000000000 1.80000000000 -1.41182505300 5P 5 1 0.00 0.00000000000 2.00000000000 -0.89844528500 0 Version Number In Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 13.00000000000 Z valence -132.28267331600 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 9 Number of nonzero Dij 1 1 6.08137265713E+00 1 2 8.67971888088E-01 2 2 5.70081092659E-02 3 3 1.24990557736E-01 3 4 -3.42840724258E+00 4 4 1.71492624504E+00 5 5 6.69184918765E-01 5 6 -3.45840321113E+00 6 6 1.39695542861E+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)) -1.84276490302E-01 Q_int 0.00000000000E+00 1.09853930995E-17 4.50609986469E-17 1.03980950346E-16 1.89603754794E-16 3.03898008254E-16 4.48948415793E-16 6.26962128503E-16 8.40275415368E-16 1.09136068718E-15 1.38283389082E-15 1.71746229308E-15 2.09817267437E-15 2.52805995358E-15 3.01039626633E-15 3.54864052037E-15 4.14644845272E-15 4.80768321467E-15 5.53642651190E-15 6.33699032868E-15 7.21392926620E-15 8.17205352705E-15 9.21644257915E-15 1.03524595345E-14 1.15857662795E-14 1.29223393960E-14 1.43684869141E-14 1.59308659391E-14 1.76165011981E-14 1.94328045552E-14 2.13875955424E-14 2.34891229613E-14 2.57460876107E-14 2.81676661960E-14 3.07635364848E-14 3.35439037701E-14 3.65195287106E-14 3.97017566184E-14 4.31025482682E-14 4.67345123086E-14 5.06109393553E-14 5.47458378556E-14 5.91539718139E-14 6.38509004750E-14 6.88530200657E-14 7.41776077014E-14 7.98428675688E-14 8.58679795021E-14 9.22731500762E-14 9.90796663472E-14 1.06309952375E-13 1.13987628674E-13 1.22137574737E-13 1.30785994804E-13 1.39960487019E-13 1.49690116180E-13 1.60005490241E-13 1.70938840770E-13 1.82524107575E-13 1.94797027687E-13 2.07795228962E-13 2.21558328500E-13 2.36128036157E-13 2.51548263404E-13 2.67865237800E-13 2.85127623379E-13 3.03386647251E-13 3.22696232737E-13 3.43113139367E-13 3.64697110114E-13 3.87511026204E-13 4.11621069929E-13 4.37096895846E-13 4.64011810799E-13 4.92442963234E-13 5.22471542261E-13 5.54182986979E-13 5.87667206594E-13 6.23018811865E-13 6.60337358489E-13 6.99727603013E-13 7.41299771932E-13 7.85169844645E-13 8.31459850977E-13 8.80298184033E-13 9.31819929144E-13 9.86167209754E-13 1.04348955111E-12 1.10394426269E-12 1.16769684025E-12 1.23492138865E-12 1.30580106637E-12 1.38052855291E-12 1.45930654023E-12 1.54234824954E-12 1.62987797455E-12 1.72213165273E-12 1.81935746598E-12 1.92181647215E-12 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