Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 13 4 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.10000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4P 4 1 6.00 0.00000000000 1.55000000000 -4.11700500400 4D 4 2 7.50 0.00000000000 1.60000000000 -0.82684767900 5S 5 0 1.00 0.00000000000 2.50000000000 -0.61333971700 5P 5 1 0.00 0.00000000000 1.55000000000 -0.28741478500 0 Version Number Rh Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 15.00000000000 Z valence -170.38717777300 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 969 Number of points in mesh 4 7 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4P 1 6.00 4D 2 7.50 5S 0 1.00 5P 1 0.00 0.00000000000E+00 3.40564213031E-07 6.86852060743E-07 1.03895973643E-06 1.39698505005E-06 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-2.38500937569E-01 2.97615775832E-01 7.69151323670E-01 8.81059063952E-01 7.98789104101E-01 6.52874203737E-01 4.50597822081E-01 2.09210649381E-01 -5.21465528893E-02 -3.12455930031E-01 -5.49494476095E-01 -7.41094461219E-01 -8.66794082381E-01 -9.09955094662E-01 -8.61064419402E-01 -7.21280823674E-01 -5.08240517176E-01 -2.61931188913E-01 -5.42072188910E-02 -5.07274996952E-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 12 Number of nonzero Dij 1 1 5.38470102868E+00 1 2 -4.26201024975E+00 2 2 5.58413351705E+00 3 3 -4.21119409549E+00 3 4 -3.30843151661E-02 4 4 2.40534320763E-01 5 5 9.63619357589E-01 5 6 -3.75945814878E+00 5 7 2.58472975674E+00 6 6 7.84469879980E+00 6 7 -9.26564111435E+00 7 7 7.83037060764E+00 8 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 1 1 0 i j (l(j)) -9.53670026894E-02 Q_int 0.00000000000E+00 -2.47931349735E-13 -1.00846269253E-12 -2.30744235346E-12 -4.17173720112E-12 -6.62926956474E-12 -9.70905544271E-12 -1.34412440472E-11 -1.78571587308E-11 -2.29893393423E-11 -2.88715860616E-11 -3.55390047639E-11 -4.30280539658E-11 -5.13765934083E-11 -6.06239343319E-11 -7.08108915032E-11 -8.19798370515E-11 -9.41747561799E-11 -1.07441304812E-10 -1.21826869246E-10 -1.37380627874E-10 -1.54153615057E-10 -1.72198787206E-10 -1.91571091159E-10 -2.12327534939E-10 -2.34527260952E-10 -2.58231621730E-10 -2.83504258298E-10 -3.10411181255E-10 -3.39020854659E-10 -3.69404282820E-10 -4.01635100092E-10 -4.35789663774E-10 -4.71947150220E-10 -5.10189654274E-10 -5.50602292133E-10 -5.93273307777E-10 -6.38294183058E-10 -6.85759751601E-10 -7.35768316627E-10 -7.88421772849E-10 -8.43825732563E-10 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