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 2.23000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4P 4 1 6.00 0.00000000000 1.53000000000 -4.15068716400 4D 4 2 9.50 0.00000000000 1.63000000000 -0.66209811300 5S 5 0 0.00 0.00000000000 2.50000000000 -0.51147695700 5P 5 1 0.00 0.00000000000 1.53000000000 -0.21800980700 0 Version Number Pd Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PBX PBC PBE Exchange-Correlation functional 16.00000000000 Z valence -198.19159421400 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 887 Number of points in mesh 4 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4P 1 6.00 4D 2 9.50 5S 0 0.00 5P 1 0.00 0.00000000000E+00 1.24392416006E-09 2.51933841015E-09 3.82703992570E-09 5.16784606273E-09 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2.17621068863E-06 2.34530151343E-06 2.52752826613E-06 2.72391562673E-06 2.93555805963E-06 3.16364200377E-06 3.40944162718E-06 3.67433026579E-06 3.95979002447E-06 4.26741424101E-06 4.59892071361E-06 4.95616163750E-06 5.34112761773E-06 5.75596932845E-06 6.20299743949E-06 6.68470442651E-06 7.20377367105E-06 7.76309453478E-06 8.36577967657E-06 9.01518137826E-06 9.71491044606E-06 1.04688507714E-05 1.12811907951E-05 1.21564361740E-05 1.30994373403E-05 1.41154209155E-05 1.52100070424E-05 1.63892512291E-05 1.76596675311E-05 1.90282713204E-05 2.05026062131E-05 2.20907971439E-05 2.38015831010E-05 2.56443655337E-05 2.76292624071E-05 2.97671558554E-05 3.20697528813E-05 3.45496406666E-05 3.72203566801E-05 4.00964619010E-05 4.31936037112E-05 4.65286060857E-05 5.01195501135E-05 5.39858692708E-05 5.81484381853E-05 6.26296934155E-05 6.74537164350E-05 7.26463852739E-05 7.82354744804E-05 8.42508021068E-05 9.07243642924E-05 9.76905007453E-05 1.05186033615E-04 1.13250464636E-04 1.21926132232E-04 1.31258419943E-04 1.41295949086E-04 1.52090800462E-04 1.63698739832E-04 1.76179437262E-04 1.89596753743E-04 2.04018966666E-04 2.19519065440E-04 2.36175034043E-04 2.54070152454E-04 2.73293288330E-04 2.93939261999E-04 3.16109127204E-04 3.39910547087E-04 3.65458142488E-04 3.92873827315E-04 4.22287196258E-04 4.53835855803E-04 4.87665829315E-04 5.23931854894E-04 5.62797792352E-04 6.04436917707E-04 6.49032223092E-04 6.96776750830E-04 7.47873774760E-04 8.02537056826E-04 8.60990936676E-04 9.23470447238E-04 9.90221257145E-04 1.06149959251E-03 1.13757194631E-03 1.21871474869E-03 1.30521374219E-03 1.39736327776E-03 1.49546532437E-03 1.59982814195E-03 1.71076483574E-03 1.82859130755E-03 1.95362403677E-03 2.08617722904E-03 2.22655952922E-03 2.37507012544E-03 2.53199414873E-03 2.69759736665E-03 2.87212001643E-03 3.05576965661E-03 3.24871304243E-03 3.45106674980E-03 3.66288661212E-03 3.88415558691E-03 4.11477026929E-03 4.35452552190E-03 4.60309732353E-03 4.86002373121E-03 5.12468347903E-03 5.39627255074E-03 5.67377813509E-03 5.95595019798E-03 6.24127033233E-03 6.52791805454E-03 6.81373426751E-03 7.09618225072E-03 7.37230592394E-03 7.63868599851E-03 7.89139399182E-03 8.12594473628E-03 8.33724811373E-03 8.51956051833E-03 8.66643757066E-03 8.77068910128E-03 8.82433823978E-03 8.81858682960E-03 8.74378936394E-03 8.58943889784E-03 8.34416821314E-03 7.99577062572E-03 7.53124521192E-03 6.93687243546E-03 6.19832576616E-03 5.30082758821E-03 4.22935612470E-03 2.96891279570E-03 1.50485870539E-03 -1.76670212991E-04 -2.08825966532E-03 -4.24061661171E-03 -6.64186297815E-03 -9.29671827825E-03 -1.22055670104E-02 -1.53634118421E-02 -1.87587193880E-02 -2.23721732416E-02 -2.61753583088E-02 -3.01294166652E-02 -3.41837271265E-02 -3.82746868200E-02 -4.23246924376E-02 -4.62414508252E-02 -4.99177819672E-02 -5.32321104521E-02 -5.60498861928E-02 -5.82262099460E-02 -5.96099781217E-02 -6.00498913475E-02 -5.94026813060E-02 -5.75439040825E-02 -5.43815953409E-02 -4.98729791012E-02 -4.40442437834E-02 -3.70131072404E-02 -2.90134824621E-02 -2.04209595723E-02 -1.17770333464E-02 -3.80898209122E-03 2.55898003626E-03 6.20916223238E-03 5.85606875526E-03 1.03639787687E-04 -1.24550200427E-02 -3.30835472160E-02 -6.26823339150E-02 -1.01493735765E-01 -1.48729885821E-01 -2.02132478510E-01 -2.57493873066E-01 -3.08199785018E-01 -3.44898455812E-01 -3.55461484920E-01 -3.25476449854E-01 -2.39593472291E-01 -8.41162510070E-02 1.48763071556E-01 4.54827229482E-01 8.09998543513E-01 1.16209271905E+00 1.42569068179E+00 1.48791963104E+00 1.24109676049E+00 6.69254814577E-01 6.69591450685E-02 2.34780781715E-01 7.63120900422E-01 1.15178284791E+00 1.41948481044E+00 1.55990090208E+00 1.57713959094E+00 1.47926736534E+00 1.28408044469E+00 1.01489666822E+00 7.06084632219E-01 3.98123155369E-01 1.42399170130E-01 -4.85916775148E-03 -2.48476500249E-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 9 Number of nonzero Dij 1 1 6.14343490975E+00 1 2 -2.69541259457E+00 2 2 2.44790781022E+00 3 3 -5.46965814848E+00 3 4 4.76976881293E-01 4 4 3.70484080019E+00 5 5 6.09670674564E-01 5 6 -2.28402517449E+00 6 6 1.25331662259E+00 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.13000000000E+00 2 1.13000000000E+00 3 1.13000000000E+00 4 1.13000000000E+00 5 1.13000000000E+00 1 1 0 i j (l(j)) -3.71823864091E-03 Q_int 0.00000000000E+00 -5.55438109352E-18 -2.27835232361E-17 -5.25743429896E-17 -9.58665294313E-17 -1.53655434641E-16 -2.26995117067E-16 -3.17001545723E-16 -4.24855973583E-16 -5.51808488983E-16 -6.99181754271E-16 -8.68374941443E-16 -1.06086787500E-15 -1.27822539278E-15 -1.52210193612E-15 -1.79424638113E-15 -2.09650712382E-15 -2.43083743197E-15 -2.79930107779E-15 -3.20407826581E-15 -3.64747187136E-15 -4.13191400570E-15 -4.65997292473E-15 -5.23436029908E-15 -5.85793886425E-15 -6.53373047057E-15 -7.26492455351E-15 -8.05488704628E-15 -8.90716975740E-15 -9.82552023748E-15 -1.08138921603E-14 -1.18764562450E-14 -1.30176117470E-14 -1.42419985476E-14 -1.55545098726E-14 -1.69603056728E-14 -1.84648267001E-14 -2.00738093160E-14 -2.17933010695E-14 -2.36296770840E-14 -2.55896572963E-14 -2.76803245893E-14 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