Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 2May2018 Pseudopotential type: USPP Element: Sr Functional: PBE Suggested minimum cutoff for wavefunctions: 39. Ry Suggested minimum cutoff for charge density: 263. 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 4S 1 0 2.00 1.300 1.500 -3.004877 5S 2 0 2.00 1.300 1.500 -0.259128 4P 2 1 2.00 1.400 1.600 -1.734792 4P 2 1 4.00 1.400 1.600 -1.649533 5P 3 1 0.00 1.400 1.600 -0.097502 5P 3 1 0.00 1.400 1.600 -0.092939 Generation configuration: 4S 1 0 2.00 1.300 1.500 -3.004877 5S 2 0 2.00 1.300 1.500 -0.259131 4P 2 1 2.00 1.400 1.600 -1.734791 4P 2 1 4.00 1.400 1.600 -1.649527 5P 3 1 0.00 1.400 1.600 -0.097504 5P 3 1 0.00 1.400 1.600 -0.092940 4D 3 2 0.00 1.200 1.700 0.050000 4D 3 2 0.00 1.200 1.700 0.050000 4D 3 2 0.00 1.200 1.700 1.000000 4D 3 2 0.00 1.200 1.700 1.000000 Pseudization used: troullier-martins &input title='Sr', zed=38., rel=2, config='[Kr] 5s2 5p0 4d-1', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Sr.rel-pbe-spn-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=1.2, tm=.true. / 6 4S 1 0 2.00 0.00 1.30 1.50 0.0 5S 2 0 2.00 0.00 1.30 1.50 0.0 4P 2 1 6.00 0.00 1.40 1.60 0.0 5P 3 1 0.00 0.00 1.40 1.60 0.0 4D 3 2 0.00 0.05 1.20 1.70 0.0 4D 3 2 0.00 1.00 1.20 1.70 0.0 2.399689383038201e-5 2.429873759655321e-5 2.460437808991006e-5 2.491386306740142e-5 2.522724088668473e-5 2.554456051368181e-5 2.586587153022997e-5 2.619122414182924e-5 2.652066918548712e-5 2.685425813766196e-5 2.719204312230624e-5 2.753407691901102e-5 2.788041297125290e-5 2.823110539474465e-5 2.858620898589100e-5 2.894577923035048e-5 2.930987231170535e-5 2.967854512024031e-5 3.005185526183177e-5 3.042986106694889e-5 3.081262159976774e-5 3.120019666740033e-5 3.159264682923949e-5 3.199003340642144e-5 3.239241849140739e-5 3.279986495768551e-5 3.321243646959513e-5 3.363019749227433e-5 3.405321330173284e-5 3.448154999505157e-5 3.491527450071030e-5 3.535445458904545e-5 3.579915888283931e-5 3.624945686804255e-5 3.670541890463155e-5 3.716711623760216e-5 3.763462100810195e-5 3.810800626470252e-5 3.858734597481325e-5 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