Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Pt Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 40. Ry Suggested minimum cutoff for charge density: 467. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential according to Troullier-Martins recipe, cutoff radius: 2.4000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 1.00 2.000 2.400 -0.438692 6P 2 1 0.00 2.300 2.500 -0.101464 6P 2 1 0.00 2.300 2.500 -0.061257 5D 3 2 4.00 1.800 2.200 -0.526834 5D 3 2 5.00 1.800 2.200 -0.428720 Generation configuration: 6S 1 0 1.00 2.000 2.400 -0.438690 6S 1 0 0.00 2.000 2.400 2.500000 6P 2 1 0.00 2.300 2.500 -0.101465 6P 2 1 0.00 2.300 2.500 -0.061257 6P 2 1 0.00 2.300 2.500 3.500000 6P 2 1 0.00 2.300 2.500 3.500000 5D 3 2 4.00 1.800 2.200 -0.526832 5D 3 2 5.00 1.800 2.200 -0.428717 5D 3 2 0.00 1.800 2.200 0.800000 5D 3 2 0.00 1.800 2.200 0.800000 Pseudization used: troullier-martins title='Pt', zed=78., rel=2, config='[Xe] 4f14 5d9.0 6s1.0 6p0.0', iswitch=3, dft='LDA' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Pt.rel-pz-n-kjpaw_psl.0.1.UPF', author='ADC', lloc=-2, rcloc=2.4, which_augfun='PSQ', rmatch_augfun=1.0, nlcc=.true., new_core_ps=.true., rcore=1.6, tm=.true. / 6 6S 1 0 1.00 0.00 2.00 2.40 0.0 6S 1 0 0.00 2.50 2.00 2.40 0.0 6P 2 1 0.00 0.00 2.30 2.50 0.0 6P 2 1 0.00 3.50 2.30 2.50 0.0 5D 3 2 9.00 0.00 1.80 2.20 0.0 5D 3 2 0.00 0.80 1.80 2.20 0.0 1.169079443018611E-005 1.183784652139772E-005 1.198674830021259E-005 1.213752303283659E-005 1.229019427812846E-005 1.244478589128088E-005 1.260132202754793E-005 1.275982714601938E-005 1.292032601344244E-005 1.308284370809173E-005 1.324740562368765E-005 1.341403747336434E-005 1.358276529368731E-005 1.375361544872175E-005 1.392661463415202E-005 1.410178988145280E-005 1.427916856211286E-005 1.445877839191195E-005 1.464064743525138E-005 1.482480410953920E-005 1.501127718963044E-005 1.520009581232324E-005 1.539128948091155E-005 1.558488806979506E-005 1.578092182914719E-005 1.597942138964166E-005 1.618041776723865E-005 1.638394236803108E-005 1.659002699315190E-005 1.679870384374308E-005 1.701000552598707E-005 1.722396505620163E-005 1.744061586599864E-005 1.765999180750791E-005 1.788212715866665E-005 1.810705662857541E-005 1.833481536292147E-005 1.856543894947046E-005 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