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 2.10000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4P 4 1 6.00 0.00000000000 1.55000000000 -4.10840811100 4D 4 2 7.50 0.00000000000 1.60000000000 -0.81088072300 5S 5 0 1.00 0.00000000000 2.50000000000 -0.58892815300 5P 5 1 0.00 0.00000000000 1.55000000000 -0.27355217800 0 Version Number Rh Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 15.00000000000 Z valence -170.35868389200 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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-2.63328956678E-01 2.86470655982E-01 7.71504475715E-01 8.95559706807E-01 8.21578547061E-01 6.83120396096E-01 4.86402952417E-01 2.48696474661E-01 -1.09141602001E-02 -2.71384673874E-01 -5.10375662555E-01 -7.05522866608E-01 -8.36066922208E-01 -8.84991656920E-01 -8.42314768288E-01 -7.08666316634E-01 -5.01102564168E-01 -2.59032332783E-01 -5.37730256362E-02 -4.82556007557E-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 5.37320892458E+00 1 2 -4.22722056515E+00 2 2 5.52733679347E+00 3 3 -4.23553258382E+00 3 4 -2.55376217071E-02 4 4 2.38672645883E-01 5 5 9.42992537547E-01 5 6 -3.68215947374E+00 5 7 2.69093317065E+00 6 6 7.50880357268E+00 6 7 -9.54965948674E+00 7 7 8.64641356977E+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)) -9.88343626430E-02 Q_int 0.00000000000E+00 -2.54821452877E-13 -1.03648824063E-12 -2.37156702276E-12 -4.28767130800E-12 -6.81349939734E-12 -9.97887365443E-12 -1.38147811491E-11 -1.83534157214E-11 -2.36282215144E-11 -2.96739380275E-11 -3.65266467409E-11 -4.42238193669E-11 -5.28043677826E-11 -6.23086957022E-11 -7.27787521496E-11 -8.42580867913E-11 -9.67919071951E-11 -1.10427138080E-10 -1.25212482626E-10 -1.41198485911E-10 -1.58437600560E-10 -1.76984254662E-10 -1.96894922048E-10 -2.18228195014E-10 -2.41044859556E-10 -2.65407973214E-10 -2.91382945623E-10 -3.19037621839E-10 -3.48442368562E-10 -3.79670163337E-10 -4.12796686844E-10 -4.47900418380E-10 -4.85062734639E-10 -5.24368011910E-10 -5.65903731801E-10 -6.09760590624E-10 -6.56032612547E-10 -7.04817266654E-10 -7.56215588050E-10 -8.10332303139E-10 -8.67275959221E-10 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