Generated using "atomic" code by A. Dal Corso (espresso distribution) Author: anonymous Generation date: 15Mar2005 Pt 1 The Pseudo was generated with a Scalar-Relativistic Calculation 0 2.6000000E+00 L component and cutoff radius for Local Potential nl pn l occ Rcut Rcut US E pseu 6P 2 1 0.00 2.60000000000 2.60000000000 -0.46872226149 5D 3 2 9.00 2.10000000000 2.40000000000 -0.43874809514 5D 3 2 0.00 2.10000000000 2.40000000000 -0.20000000000 6S 1 0 1.00 2.60000000000 2.60000000000 -0.43874662441 0 Version Number Pt Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 10.00000000000 Z valence -53.34118255229 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 1547 Number of points in mesh 2 3 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 5D 2 9.00 6S 0 1.00 1.16907944302E-05 1.18082888676E-05 1.19269641437E-05 1.20468321261E-05 1.21679048018E-05 1.22901942781E-05 1.24137127841E-05 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4.39831196685E+00 4.52097997203E+00 4.64682386035E+00 4.77591286383E+00 4.90831719515E+00 5.04410773130E+00 5.18335606672E+00 5.32613468343E+00 5.47251633232E+00 5.62257470353E+00 5.77638382432E+00 5.93401823100E+00 6.09555296125E+00 6.26106315972E+00 6.43062446248E+00 6.60431255946E+00 6.78220324190E+00 6.96437222807E+00 7.15089530759E+00 7.34184776769E+00 7.53730484173E+00 7.73734105326E+00 7.94203049417E+00 8.15144640139E+00 8.36566123513E+00 8.58474624979E+00 8.80877164420E+00 9.03780606339E+00 9.27191667338E+00 9.51116881126E+00 9.75562574251E+00 1.00053486097E+01 1.02603960078E+01 1.05208238409E+01 1.07866850099E+01 1.10580292002E+01 1.13349024858E+01 1.16173471408E+01 1.19054012221E+01 1.21990982841E+01 1.24984670166E+01 1.28035308793E+01 1.31143076851E+01 1.34308092514E+01 1.37530409070E+01 1.40810011414E+01 1.44146810570E+01 1.47540639456E+01 1.50991247823E+01 1.54498296957E+01 1.58061354512E+01 1.61679888648E+01 1.65353262658E+01 1.69080728569E+01 1.72861421550E+01 1.76694352610E+01 1.80578403104E+01 1.84512317133E+01 1.88494694831E+01 1.92523985404E+01 1.96598479394E+01 2.00716301244E+01 2.04875401894E+01 2.09073550300E+01 2.13308325963E+01 2.17577110367E+01 2.21877078736E+01 2.26205191822E+01 2.30558186938E+01 2.34932569882E+01 2.39324605843E+01 2.43730310967E+01 2.48145443622E+01 2.52565495817E+01 2.56985684450E+01 2.61400943184E+01 2.65805913828E+01 2.70194938367E+01 2.74562051269E+01 2.78900971598E+01 2.83205096093E+01 2.87467492366E+01 2.91680892471E+01 2.95837687531E+01 2.99929922332E+01 3.03949291177E+01 3.07887134392E+01 3.11734435741E+01 3.15481820728E+01 3.19119556312E+01 3.22637551632E+01 3.26025360067E+01 3.29272183041E+01 3.32366875017E+01 3.35297950773E+01 3.38053593901E+01 3.40621668095E+01 3.42989729972E+01 3.45145044624E+01 3.47074603472E+01 3.48765145022E+01 3.50203178153E+01 3.51375008621E+01 3.52266768681E+01 3.52864450091E+01 3.53153940428E+01 3.53121063244E+01 3.52751622110E+01 3.52031448444E+01 3.50946453527E+01 3.49482684720E+01 3.47626386248E+01 3.45364064070E+01 3.42682555513E+01 3.39569103611E+01 3.36011435712E+01 3.31997846983E+01 3.27517288388E+01 3.22559459111E+01 3.17114903480E+01 3.11175112087E+01 3.04732626725E+01 2.97781149397E+01 2.90315654419E+01 2.82332503652E+01 2.73829564321E+01 2.64806328653E+01 2.55264035036E+01 2.45205789724E+01 2.34636688560E+01 2.23563937411E+01 2.11996970841E+01 1.99947567714E+01 1.87429962286E+01 1.74460950159E+01 1.61059987206E+01 1.47249280051E+01 1.33053867177E+01 1.18501688147E+01 1.03623639893E+01 8.84536183515E+00 7.30285431059E+00 5.73883638310E+00 4.15760464415E+00 2.56375368744E+00 9.62170134159E-01 -6.41975965384E-01 -2.24324242473E+00 -3.83592914628E+00 -5.41409537783E+00 -6.97158015779E+00 -8.50202603103E+00 -9.99890617324E+00 -1.14555549087E+01 -1.28652017647E+01 -1.42210089229E+01 -1.55161121766E+01 -1.67436652191E+01 -1.78968871904E+01 -1.89691133411E+01 -1.99538485879E+01 -2.08448237393E+01 -2.16360541095E+01 -2.23219002061E+01 -2.28971300858E+01 -2.33569830625E+01 -2.36972342401E+01 -2.39142594901E+01 -2.40051003518E+01 -2.39675283495E+01 -2.38001082777E+01 -2.35022598447E+01 -2.30743172660E+01 -2.25175862458E+01 -2.18343978598E+01 -2.10281589286E+01 -2.01033983648E+01 -1.90658091166E+01 -1.79222853112E+01 -1.66809541823E+01 -1.53512024633E+01 -1.39436968581E+01 -1.24703982506E+01 -1.09445693052E+01 -9.38077506768E+00 -7.79487620578E+00 -6.20401448433E+00 -4.62659009639E+00 -3.08223047823E+00 -1.59175033199E+00 -1.77102707483E-01 1.13867878522E+00 2.33154610831E+00 3.37651031032E+00 4.24772051695E+00 4.91854547119E+00 5.36165347423E+00 5.54908127320E+00 5.45231306204E+00 5.04206421908E+00 4.29061488682E+00 3.14877262963E+00 1.76951001505E+00 1.23504753079E+00 8.96275063066E-01 5.87354749876E-01 3.40184650554E-01 1.61728274310E-01 5.36283641798E-02 7.08993852960E-03 -5.12400414792E-04 -5.04603406370E-04 -4.96738197461E-04 -4.88818945066E-04 -4.80857641444E-04 -4.72865489405E-04 2.10 2.40 5D 4 Number of nonzero Dij 1 1 6.57672187931E-02 2 2 -2.41117301432E+00 2 3 -2.79108520977E+00 3 3 -3.23463494440E+00 0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1 1 i j (l(j)) -1.72137501695E-18 Q_int -2.93873587706E-39 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 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 3.52648305247E-38 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -4.70197740329E-38 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 1.41059322099E-37 -1.41059322099E-37 9.40395480658E-38 -1.88079096132E-37 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -1.88079096132E-37 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -1.88079096132E-37 0.00000000000E+00 -1.88079096132E-37 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 -7.52316384526E-37 0.00000000000E+00 0.00000000000E+00 7.52316384526E-37 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -7.52316384526E-37 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 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 1.20370621524E-35 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 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 -2.40741243048E-35 0.00000000000E+00 4.81482486097E-35 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 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 1.92592994439E-34 -1.92592994439E-34 9.62964972194E-35 1.92592994439E-34 1.92592994439E-34 0.00000000000E+00 -1.92592994439E-34 0.00000000000E+00 -1.92592994439E-34 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 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 -1.54074395551E-33 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 -1.54074395551E-33 0.00000000000E+00 3.08148791102E-33 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 1.54074395551E-33 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 9.24446373306E-33 -1.23259516441E-32 0.00000000000E+00 1.23259516441E-32 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -1.23259516441E-32 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -1.23259516441E-32 0.00000000000E+00 1.23259516441E-32 0.00000000000E+00 6.16297582204E-33 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 0.00000000000E+00 2.46519032882E-32 4.93038065763E-32 -4.93038065763E-32 -2.46519032882E-32 -4.93038065763E-32 0.00000000000E+00 -4.93038065763E-32 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 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 -7.88860905221E-31 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -1.57772181044E-30 0.00000000000E+00 1.57772181044E-30 0.00000000000E+00 0.00000000000E+00 -1.57772181044E-30 0.00000000000E+00 0.00000000000E+00 -3.15544362088E-30 0.00000000000E+00 1.57772181044E-30 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -3.15544362088E-30 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 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