Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Pt Functional: SLA PW PSX PSC 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. Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.000 1.300 -7.657256 6S 2 0 2.00 1.000 1.300 -0.479857 5P 2 1 2.00 1.100 1.300 -5.103337 5P 2 1 4.00 1.100 1.300 -3.994528 5D 3 2 4.00 1.300 1.500 -0.650043 5D 3 2 4.00 1.300 1.500 -0.546340 4F 4 3 6.00 1.200 1.500 -5.474602 4F 4 3 8.00 1.200 1.500 -5.220649 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 = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Pt.rel-pbesol-spfn-kjpaw_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 2.875471435238209e-5 2.911640413342830e-5 2.948264341185816e-5 2.985348941330402e-5 3.022900008320812e-5 3.060923409587659e-5 3.099425086364747e-5 3.138411054617414e-5 3.177887405982511e-5 3.217860308720255e-5 3.258336008678024e-5 3.299320830266282e-5 3.340821177446793e-5 3.382843534733233e-5 3.425394468204424e-5 3.468480626530290e-5 3.512108742010728e-5 3.556285631627549e-5 3.601018198109633e-5 3.646313431011498e-5 3.692178407805440e-5 3.738620294987395e-5 3.785646349196726e-5 3.833263918350077e-5 3.881480442789507e-5 3.930303456445055e-5 3.979740588011934e-5 4.029799562142538e-5 4.080488200653419e-5 4.131814423747470e-5 4.183786251251473e-5 4.236411803869208e-5 4.289699304450349e-5 4.343657079275271e-5 4.398293559356070e-5 4.453617281753916e-5 4.509636890912985e-5 4.566361140011193e-5 4.623798892327860e-5 4.681959122628646e-5 4.740850918567862e-5 4.800483482108436e-5 4.860866130959753e-5 4.922008300033543e-5 4.983919542918117e-5 5.046609533371132e-5 5.110088066831143e-5 5.174365061948151e-5 5.239450562133419e-5 5.305354737128765e-5 5.372087884595614e-5 5.439660431724026e-5 5.508082936861975e-5 5.577366091165088e-5 5.647520720267187e-5 5.718557785971798e-5 5.790488387964958e-5 5.863323765549580e-5 5.937075299401597e-5 6.011754513348220e-5 6.087373076168561e-5 6.163942803416904e-5 6.241475659268927e-5 6.319983758391093e-5 6.399479367833612e-5 6.479974908947197e-5 6.561482959323911e-5 6.644016254762467e-5 6.727587691258185e-5 6.812210327018047e-5 6.897897384501053e-5 6.984662252484263e-5 7.072518488154835e-5 7.161479819228332e-5 7.251560146093729e-5 7.342773543985366e-5 7.435134265182233e-5 7.528656741234939e-5 7.623355585220633e-5 7.719245594026357e-5 7.816341750661074e-5 7.914659226596797e-5 8.014213384139182e-5 8.115019778827881e-5 8.217094161867157e-5 8.320452482587035e-5 8.425110890935400e-5 8.531085740001505e-5 8.638393588571113e-5 8.747051203713879e-5 8.857075563403248e-5 8.968483859169243e-5 9.081293498784776e-5 9.195522108985511e-5 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