Generated using "atomic" code by A. Dal Corso (espresso distribution) Author: ADC Generation date: 13Feb2006 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 -0.10000000000 5D 3 2 9.00 2.10000000000 2.40000000000 -0.45136095309 5D 3 2 0.00 2.10000000000 2.40000000000 -0.20000000000 6S 1 0 1.00 2.60000000000 2.60000000000 -0.41593713885 0 Version Number Pt Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBE PBE PBE Exchange-Correlation functional 10.00000000000 Z valence -53.13298188999 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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4.91082833490E+00 5.04780156816E+00 5.18832168861E+00 5.33246596314E+00 5.48031278277E+00 5.63194137259E+00 5.78743176436E+00 5.94686482421E+00 6.11032192838E+00 6.27788537309E+00 6.44963794332E+00 6.62566280465E+00 6.80604384867E+00 6.99086514600E+00 7.18021103388E+00 7.37416623108E+00 7.57281538564E+00 7.77624316398E+00 7.98453412814E+00 8.19777264354E+00 8.41604259656E+00 8.63942736631E+00 8.86800979685E+00 9.10187171061E+00 9.34109410557E+00 9.58575667061E+00 9.83593786083E+00 1.00917144539E+01 1.03531615291E+01 1.06203521425E+01 1.08933570710E+01 1.11722446836E+01 1.14570805313E+01 1.17479271325E+01 1.20448437058E+01 1.23478858281E+01 1.26571051017E+01 1.29725488169E+01 1.32942596252E+01 1.36222751037E+01 1.39566274429E+01 1.42973429366E+01 1.46444416392E+01 1.49979368460E+01 1.53578346800E+01 1.57241335277E+01 1.60968236486E+01 1.64758864561E+01 1.68612941622E+01 1.72530090667E+01 1.76509829927E+01 1.80551566804E+01 1.84654591247E+01 1.88818069280E+01 1.93041035761E+01 1.97322387564E+01 2.01660875751E+01 2.06055099197E+01 2.10503494661E+01 2.15004331001E+01 2.19555699410E+01 2.24155505643E+01 2.28801461202E+01 2.33491074377E+01 2.38221641609E+01 2.42990237847E+01 2.47793707504E+01 2.52628655106E+01 2.57491435431E+01 2.62378144061E+01 2.67284607796E+01 2.72206374733E+01 2.77138704454E+01 2.82076558878E+01 2.87014591855E+01 2.91947140448E+01 2.96868215095E+01 3.01771490888E+01 3.06650298281E+01 3.11497615252E+01 3.16306058613E+01 3.21067876783E+01 3.25774942581E+01 3.30418746827E+01 3.34990392652E+01 3.39480590619E+01 3.43879654639E+01 3.48177499265E+01 3.52363637446E+01 3.56427180558E+01 3.60356838452E+01 3.64140922617E+01 3.67767349413E+01 3.71223646422E+01 3.74496959717E+01 3.77574064075E+01 3.80441374809E+01 3.83084962621E+01 3.85490570430E+01 3.87643633746E+01 3.89529303338E+01 3.91132471600E+01 3.92437801990E+01 3.93429761969E+01 3.94092660047E+01 3.94410686349E+01 3.94367957471E+01 3.93948565759E+01 3.93136632667E+01 3.91916367103E+01 3.90272128382E+01 3.88188494048E+01 3.85650332741E+01 3.82642882141E+01 3.79151832184E+01 3.75163413166E+01 3.70664489412E+01 3.65642657849E+01 3.60086351815E+01 3.53984949635E+01 3.47328888154E+01 3.40109780726E+01 3.32320539234E+01 3.23955500490E+01 3.15010555474E+01 3.05483281693E+01 2.95373078097E+01 2.84681300987E+01 2.73411401437E+01 2.61569061995E+01 2.49162332687E+01 2.36201764675E+01 2.22700540804E+01 2.08674601005E+01 1.94142762165E+01 1.79126829797E+01 1.63651701148E+01 1.47745456640E+01 1.31439439098E+01 1.14768318146E+01 9.77701377982E+00 8.04863457002E+00 6.29618014616E+00 4.52447623931E+00 2.73868441832E+00 9.44295456653E-01 -8.52880142822E-01 -2.64672478570E+00 -4.43082963782E+00 -6.19851394552E+00 -7.94284792826E+00 -9.65667940694E+00 -1.13326642340E+01 -1.29633006344E+01 -1.45409674909E+01 -1.60579665450E+01 -1.75065685306E+01 -1.88790631545E+01 -2.01678127352E+01 -2.13653094611E+01 -2.24642358871E+01 -2.34575285962E+01 -2.43384444861E+01 -2.51006295547E+01 -2.57381895738E+01 -2.62457623433E+01 -2.66185909461E+01 -2.68525975437E+01 -2.69444571222E+01 -2.68916706329E+01 -2.66926369471E+01 -2.63467230438E+01 -2.58543317915E+01 -2.52169668292E+01 -2.44372938764E+01 -2.35191980246E+01 -2.24678364006E+01 -2.12896857648E+01 -1.99925845278E+01 -1.85857687607E+01 -1.70799017605E+01 -1.54870967403E+01 -1.38209322391E+01 -1.20964598524E+01 -1.03302038324E+01 -8.54015215728E+00 -6.74573862734E+00 -4.96781558106E+00 -3.22861685024E+00 -1.55171069593E+00 3.80573854017E-02 1.51463178799E+00 2.85082319632E+00 4.01839300013E+00 4.98814343899E+00 5.73000997189E+00 6.21315096438E+00 6.40602369023E+00 6.27647077374E+00 5.79146683210E+00 4.91978600744E+00 3.60558973900E+00 2.02473037617E+00 1.41367064369E+00 1.02640234513E+00 6.72933361919E-01 3.89920163313E-01 1.85453410063E-01 6.15247337309E-02 8.14296780949E-03 -5.81512104490E-04 -5.72912209605E-04 -5.64244198123E-04 -5.55524254231E-04 -5.46764189092E-04 -5.37975008654E-04 2.10 2.40 5D 4 Number of nonzero Dij 1 1 6.48826279782E-02 2 2 -2.42122536353E+00 2 3 -2.74950483459E+00 3 3 -3.12510223221E+00 0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1 1 i j (l(j)) 1.33687148672E-18 Q_int 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 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 1.41059322099E-37 -1.41059322099E-37 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 9.40395480658E-38 0.00000000000E+00 -9.40395480658E-38 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 1.88079096132E-37 0.00000000000E+00 -9.40395480658E-38 0.00000000000E+00 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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 3.76158192263E-37 7.52316384526E-37 0.00000000000E+00 -7.52316384526E-37 7.52316384526E-37 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 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 -6.01853107621E-36 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -3.61111864573E-35 0.00000000000E+00 0.00000000000E+00 -2.40741243048E-35 2.40741243048E-35 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 2.40741243048E-35 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -4.81482486097E-35 0.00000000000E+00 0.00000000000E+00 2.40741243048E-35 0.00000000000E+00 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 1.92592994439E-34 -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 0.00000000000E+00 -1.54074395551E-33 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 2.31111593326E-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 3.08148791102E-33 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 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 0.00000000000E+00 0.00000000000E+00 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 9.24446373306E-33 -1.23259516441E-32 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 -1.23259516441E-32 -1.23259516441E-32 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 1.23259516441E-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 -4.93038065763E-32 -2.46519032882E-32 -2.46519032882E-32 0.00000000000E+00 0.00000000000E+00 4.93038065763E-32 -4.93038065763E-32 -4.93038065763E-32 4.93038065763E-32 -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 -5.91645678916E-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 -3.94430452611E-31 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 7.88860905221E-31 -3.94430452611E-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 -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 -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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 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