Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: USPP Element: Xe Functional: PBE Suggested minimum cutoff for wavefunctions: 45. Ry Suggested minimum cutoff for charge density: 212. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.1000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.700 1.800 -1.449045 5P 2 1 2.00 1.600 2.200 -0.667781 5P 2 1 4.00 1.600 2.200 -0.577290 4D 3 2 4.00 1.400 1.650 -4.445938 4D 3 2 6.00 1.400 1.650 -4.300074 Generation configuration: 5S 1 0 2.00 1.700 1.800 -1.449042 5S 1 0 0.00 1.700 1.800 3.000000 5P 2 1 2.00 1.600 2.200 -0.667781 5P 2 1 4.00 1.600 2.200 -0.577287 5P 2 1 0.00 1.600 2.200 3.000000 5P 2 1 0.00 1.600 2.200 3.000000 4D 3 2 4.00 1.400 1.650 -4.445939 4D 3 2 6.00 1.400 1.650 -4.300074 4D 3 2 0.00 1.400 1.650 1.050000 4D 3 2 0.00 1.400 1.650 1.050000 Pseudization used: troullier-martins &input title='Xe', zed=54., rel=2, config='[Kr] 5s2 5p6 4d10', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Xe.rel-pbe-dn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.1, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 6 5S 1 0 2.00 0.00 1.70 1.80 0.0 5S 1 0 0.00 3.00 1.70 1.80 0.0 5P 2 1 6.00 0.00 1.60 2.20 0.0 5P 2 1 0.00 3.00 1.60 2.20 0.0 4D 3 2 10.00 0.00 1.40 1.65 0.0 4D 3 2 0.00 1.05 1.40 1.65 0.0 1.688670306582438e-5 1.709911164201894e-5 1.731419198919597e-5 1.753197771409730e-5 1.775250284618555e-5 1.797580184296127e-5 1.820190959534701e-5 1.843086143313910e-5 1.866269313052797e-5 1.889744091168805e-5 1.913514145643772e-5 1.937583190597071e-5 1.961954986865945e-5 1.986633342593143e-5 2.011622113821959e-5 2.036925205098738e-5 2.062546570082969e-5 2.088490212165059e-5 2.114760185091865e-5 2.141360593600107e-5 2.168295594057730e-5 2.195569395113357e-5 2.223186258353890e-5 2.251150498970397e-5 2.279466486432372e-5 2.308138645170462e-5 2.337171455267804e-5 2.366569453160045e-5 2.396337232344163e-5 2.426479444096222e-5 2.457000798198133e-5 2.487906063673568e-5 2.519200069533137e-5 2.550887705528920e-5 2.582973922918517e-5 2.615463735238670e-5 2.648362219088656e-5 2.681674514923511e-5 2.715405827857229e-5 2.749561428476087e-5 2.784146653662170e-5 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