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 1.60000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4S 4 0 2.00 0.00000000000 1.50000000000 -1.27090753500 4P 4 1 4.00 0.00000000000 1.50000000000 -0.47850673200 0 Version Number Se Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 6.00000000000 Z valence -43.02151501150 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 877 Number of points in mesh 2 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4S 0 2.00 4P 1 4.00 0.00000000000E+00 1.24620026706E-06 2.51370258847E-06 3.80287109312E-06 5.11407613417E-06 6.44769439547E-06 7.80410899973E-06 9.18370961861E-06 1.05868925847E-05 1.20140610053E-05 1.34656248782E-05 1.49420012098E-05 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1.38272900039E-02 1.45371242814E-02 1.52829543596E-02 1.60665665762E-02 1.68898324302E-02 1.77547123547E-02 1.86632595654E-02 1.96176241099E-02 2.06200570032E-02 2.16729145358E-02 2.27786627018E-02 2.39398818114E-02 2.51592711458E-02 2.64396538857E-02 2.77839820729E-02 2.91953417522E-02 3.06769582304E-02 3.22322014898E-02 3.38645916847E-02 3.55778047902E-02 3.73756783203E-02 3.92622171882E-02 4.12415996171E-02 4.33181831234E-02 4.54965105834E-02 4.77813163222E-02 5.01775321918E-02 5.26902937016E-02 5.53249460774E-02 5.80870502176E-02 6.09823886819E-02 6.40169713791E-02 6.71970411969E-02 7.05290793516E-02 7.40198104798E-02 7.76762073799E-02 8.15054953557E-02 8.55151560642E-02 8.97129308869E-02 9.41068234861E-02 9.87051019124E-02 1.03516299451E-01 1.08549215039E-01 1.13812911953E-01 1.19316716029E-01 1.25070211646E-01 1.31083237051E-01 1.37365877133E-01 1.43928455002E-01 1.50781520801E-01 1.57935838770E-01 1.65402371032E-01 1.73192259254E-01 1.81316802330E-01 1.89787431403E-01 1.98615680255E-01 2.07813152339E-01 2.17391482389E-01 2.27362293961E-01 2.37737150640E-01 2.48527502111E-01 2.59744623472E-01 2.71399547437E-01 2.83502989720E-01 2.96065265442E-01 3.09096197713E-01 3.22605016119E-01 3.36600245759E-01 3.51089584994E-01 3.66079772287E-01 3.81576440106E-01 3.97583956598E-01 4.14105252545E-01 4.31141634689E-01 4.48692582651E-01 4.66755530573E-01 4.85325631014E-01 5.04395501869E-01 5.23954954294E-01 5.43990702188E-01 5.64486052044E-01 5.85420572704E-01 6.06769745687E-01 6.28504594636E-01 6.50591295727E-01 6.72990767687E-01 6.95658244300E-01 7.18542828337E-01 7.41587030815E-01 7.64726295782E-01 7.87888515149E-01 8.10993535615E-01 8.33952663644E-01 8.56668172024E-01 8.79032816447E-01 9.00929367604E-01 9.22230169949E-01 9.42796735562E-01 9.62479387255E-01 9.81116963536E-01 9.98536602234E-01 1.01455362148E+00 1.02897151749E+00 1.04158210438E+00 1.05216581956E+00 1.06049222576E+00 1.06632073894E+00 1.06940161801E+00 1.06947725146E+00 1.06628378163E+00 1.05955310556E+00 1.04901529687E+00 1.03440148897E+00 1.01544726384E+00 9.91896583792E-01 9.63506304287E-01 9.30051294562E-01 8.91330188227E-01 8.47171768786E-01 7.97441981851E-01 7.42051540723E-01 6.80964066724E-01 6.14204670538E-01 5.41868840025E-01 4.64131451513E-01 3.81255664360E-01 2.93601393943E-01 2.01632985325E-01 1.05925630322E-01 7.16998711336E-03 -9.38256248230E-02 -1.96136163141E-01 -2.98724715663E-01 -4.00452101477E-01 -5.00092074528E-01 -5.96352956637E-01 -6.87906432625E-01 -7.73424052607E-01 -8.51621680434E-01 -9.21311664965E-01 -9.81461862377E-01 -1.03125976564E+00 -1.07017886579E+00 -1.09804297336E+00 -1.11508255103E+00 -1.12197522184E+00 -1.11986060696E+00 -1.11031776130E+00 -1.09529206730E+00 -1.07695816357E+00 -1.05750727132E+00 -1.03885263700E+00 -1.02225790046E+00 -1.00791325884E+00 -9.94517932926E-01 -9.78981291909E-01 -9.57015502809E-01 -9.08672381805E-01 -8.20644806601E-01 -6.82267855643E-01 -4.91642780569E-01 -2.66713650789E-01 -6.59596888816E-02 2.09323765045E-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 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 9 Number of nonzero Dij 1 1 -1.01060689900E-01 1 2 -5.57197496854E+00 2 2 -3.29004668806E+00 3 3 -3.36289149339E+00 3 4 -5.85271934960E+00 4 4 -2.23604788799E-01 5 5 1.54077524121E+00 5 6 -4.73329196768E+00 6 6 1.86498175667E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.30000000000E+00 2 1.30000000000E+00 3 1.30000000000E+00 4 1.30000000000E+00 5 1.30000000000E+00 1 1 0 i j (l(j)) -6.78508167710E-01 Q_int 0.00000000000E+00 -1.10982205327E-11 -4.51549592988E-11 -1.03347715022E-10 -1.86901182343E-10 -2.97088991867E-10 -4.35235512127E-10 -6.02717715645E-10 -8.00967111323E-10 -1.03147174549E-09 -1.29577827402E-09 -1.59549410797E-09 -1.93228963532E-09 -2.30790052158E-09 -2.72413009178E-09 -3.18285179696E-09 -3.68601176793E-09 -4.23563145941E-09 -4.83381038771E-09 -5.48272896519E-09 -6.18465143492E-09 -6.94192890899E-09 -7.75700251410E-09 -8.63240664822E-09 -9.57077235208E-09 -1.05748307997E-08 -1.16474169117E-08 -1.27914730964E-08 -1.40100531222E-08 -1.53063261267E-08 -1.66835807668E-08 -1.81452295149E-08 -1.96948131059E-08 -2.13360051412E-08 -2.30726168541E-08 -2.49086020426E-08 -2.68480621758E-08 -2.88952516792E-08 -3.10545834064E-08 -3.33306343015E-08 -3.57281512614E-08 -3.82520572030E-08 -4.09074573437E-08 -4.36996457012E-08 -4.66341118219E-08 -4.97165477449E-08 -5.29528552093E-08 -5.63491531147E-08 -5.99117852422E-08 -6.36473282461E-08 -6.75625999247E-08 -7.16646677809E-08 -7.59608578821E-08 -8.04587640291E-08 -8.51662572469E-08 -9.00914956058E-08 -9.52429343863E-08 -1.00629336599E-07 -1.06259783872E-07 -1.12143687718E-07 -1.18290801195E-07 -1.24711230972E-07 -1.31415449824E-07 -1.38414309546E-07 -1.45719054339E-07 -1.53341334643E-07 -1.61293221465E-07 -1.69587221202E-07 -1.78236290982E-07 -1.87253854534E-07 -1.96653818622E-07 -2.06450590039E-07 -2.16659093203E-07 -2.27294788357E-07 -2.38373690413E-07 -2.49912388439E-07 -2.61928065837E-07 -2.74438521214E-07 -2.87462189983E-07 -3.01018166717E-07 -3.15126228274E-07 -3.29806857735E-07 -3.45081269168E-07 -3.60971433254E-07 -3.77500103808E-07 -3.94690845213E-07 -4.12568060819E-07 -4.31157022317E-07 -4.50483900144E-07 -4.70575794937E-07 -4.91460770080E-07 -5.13167885386E-07 -5.35727231948E-07 -5.59169968190E-07 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