Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Pt Functional: PBESOL Suggested minimum cutoff for wavefunctions: 77. Ry Suggested minimum cutoff for charge density: 392. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.5000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.000 1.300 -7.657245 6S 2 0 2.00 1.000 1.300 -0.479853 5P 2 1 2.00 1.100 1.300 -5.103327 5P 2 1 4.00 1.100 1.300 -3.994518 5D 3 2 4.00 1.300 1.500 -0.650035 5D 3 2 4.00 1.300 1.500 -0.546333 4F 4 3 6.00 1.200 1.500 -5.474590 4F 4 3 8.00 1.200 1.500 -5.220637 Generation configuration: 5S 1 0 2.00 1.000 1.300 -7.657250 6S 2 0 2.00 1.000 1.300 -0.479862 5P 2 1 2.00 1.100 1.300 -5.103327 5P 2 1 4.00 1.100 1.300 -3.994505 6P 3 1 0.00 1.100 1.300 -2.500000 6P 3 1 0.00 1.100 1.300 -2.500000 5D 3 2 4.00 1.300 1.500 -0.650045 5D 3 2 4.00 1.300 1.500 -0.546317 5D 3 2 0.00 1.300 1.500 0.050000 5D 3 2 0.00 1.300 1.500 0.050000 4F 4 3 6.00 1.200 1.500 -5.474588 4F 4 3 8.00 1.200 1.500 -5.220634 4F 4 3 0.00 1.200 1.500 2.200000 4F 4 3 0.00 1.200 1.500 2.200000 Pseudization used: troullier-martins &input title='Pt', zed=78., rel=2, config='[Xe] 4f14 6s2 6p0 5d8', iswitch=3, dft='PBESOL' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Pt.rel-pbesol-spfn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.5, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 8 5S 1 0 2.00 0.00 1.00 1.30 0.0 6S 2 0 2.00 0.00 1.00 1.30 0.0 5P 2 1 6.00 0.00 1.10 1.30 0.0 6P 3 1 0.00 -2.50 1.10 1.30 0.0 5D 3 2 8.00 0.00 1.30 1.50 0.0 5D 3 2 0.00 0.05 1.30 1.50 0.0 4F 4 3 14.00 0.00 1.20 1.50 0.0 4F 4 3 0.00 2.20 1.20 1.50 0.0 1.169079443018611e-5 1.183784652139772e-5 1.198674830021259e-5 1.213752303283659e-5 1.229019427812846e-5 1.244478589128089e-5 1.260132202754793e-5 1.275982714601938e-5 1.292032601344244e-5 1.308284370809173e-5 1.324740562368765e-5 1.341403747336434e-5 1.358276529368731e-5 1.375361544872175e-5 1.392661463415202e-5 1.410178988145280e-5 1.427916856211286e-5 1.445877839191195e-5 1.464064743525138e-5 1.482480410953920e-5 1.501127718963044e-5 1.520009581232324e-5 1.539128948091155e-5 1.558488806979506e-5 1.578092182914720e-5 1.597942138964166e-5 1.618041776723865e-5 1.638394236803108e-5 1.659002699315190e-5 1.679870384374308e-5 1.701000552598707e-5 1.722396505620163e-5 1.744061586599864e-5 1.765999180750791e-5 1.788212715866666e-5 1.810705662857540e-5 1.833481536292147e-5 1.856543894947046e-5 1.879896342362697e-5 1.903542527406522e-5 1.927486144843041e-5 1.951730935911194e-5 1.976280688908910e-5 2.001139239785041e-5 2.026310472738740e-5 2.051798320826364e-5 2.077606766576034e-5 2.103739842609905e-5 2.130201632274274e-5 2.156996270277617e-5 2.184127943336633e-5 2.211600890830439e-5 2.239419405462974e-5 2.267587833933745e-5 2.296110577617013e-5 2.324992093249507e-5 2.354236893626804e-5 2.383849548308463e-5 2.413834684332023e-5 2.444196986935995e-5 2.474941200291935e-5 2.506072128245727e-5 2.537594635068201e-5 2.569513646215178e-5 2.601834149097095e-5 2.634561193858281e-5 2.667699894166064e-5 2.701255428009786e-5 2.735233038509882e-5 2.769638034737121e-5 2.804475792542160e-5 2.839751755395534e-5 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