Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: USPP Element: Po Functional: PBE Suggested minimum cutoff for wavefunctions: 85. Ry Suggested minimum cutoff for charge density: 457. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.9000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 1.700 1.900 -1.208826 6P 2 1 2.00 2.000 2.100 -0.523234 6P 2 1 2.00 2.000 2.100 -0.349024 5D 3 2 4.00 0.900 1.600 -2.541344 5D 3 2 6.00 0.900 1.600 -2.288942 Generation configuration: 6S 1 0 2.00 1.700 1.900 -1.208821 6S 1 0 0.00 1.700 1.900 4.000000 6P 2 1 2.00 2.000 2.100 -0.523235 6P 2 1 2.00 2.000 2.100 -0.349022 6P 2 1 0.00 2.000 2.100 6.000000 6P 2 1 0.00 2.000 2.100 6.000000 5D 3 2 4.00 0.900 1.600 -2.541344 5D 3 2 6.00 0.900 1.600 -2.288939 5D 3 2 0.00 0.900 1.600 4.750000 5D 3 2 0.00 0.900 1.600 4.750000 Pseudization used: troullier-martins &input title='Po', zed=84., rel=2, config='[Xe] 4f14 6s2 6p4 5d10', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Po.rel-pbe-dn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.3, tm=.true. / 6 6S 1 0 2.00 0.00 1.70 1.90 0.0 6S 1 0 0.00 4.00 1.70 1.90 0.0 6P 2 1 4.00 0.00 2.00 2.10 0.0 6P 2 1 0.00 6.00 2.00 2.10 0.0 5D 3 2 10.00 0.00 0.90 1.60 0.0 5D 3 2 0.00 4.75 0.90 1.60 0.0 1.085573768517281e-5 1.099228605558360e-5 1.113055199305455e-5 1.127055710191969e-5 1.141232325826214e-5 1.155587261333225e-5 1.170122759700880e-5 1.184841092130370e-5 1.199744558391084e-5 1.214835487179946e-5 1.230116236485282e-5 1.245589193955260e-5 1.261256777270964e-5 1.277121434524163e-5 1.293185644599831e-5 1.309451917563474e-5 1.325922795053338e-5 1.342600850677538e-5 1.359488690416199e-5 1.376588953028640e-5 1.393904310465684e-5 1.411437468287158e-5 1.429191166084644e-5 1.447168177909541e-5 1.465371312706525e-5 1.483803414752440e-5 1.502467364100732e-5 1.521366077031458e-5 1.540502506506962e-5 1.559879642633285e-5 1.579500513127371e-5 1.599368183790151e-5 1.619485758985588e-5 1.639856382125735e-5 1.660483236161903e-5 1.681369544082002e-5 1.702518569414136e-5 1.723933616736542e-5 1.745618032193932e-5 1.767575204020342e-5 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