Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 2May2018 Pseudopotential type: USPP Element: Ag Functional: PBE Suggested minimum cutoff for wavefunctions: 45. Ry Suggested minimum cutoff for charge density: 182. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.4000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 1.50 1.600 2.200 -0.365751 5P 2 1 0.00 1.600 2.200 -0.079052 5P 2 1 0.00 1.600 2.200 -0.069010 4D 3 2 4.00 1.600 1.700 -0.689492 4D 3 2 5.50 1.600 1.700 -0.647138 Generation configuration: 5S 1 0 1.50 1.600 2.200 -0.365750 5S 1 0 0.00 1.600 2.200 6.500000 5P 2 1 0.00 1.600 2.200 -0.079053 5P 2 1 0.00 1.600 2.200 -0.069010 5P 2 1 0.00 1.600 2.200 6.000000 5P 2 1 0.00 1.600 2.200 6.000000 4D 3 2 4.00 1.600 1.700 -0.689492 4D 3 2 5.50 1.600 1.700 -0.647137 4D 3 2 0.00 1.600 1.700 0.030000 4D 3 2 0.00 1.600 1.700 0.030000 Pseudization used: troullier-martins &input title='Ag', zed=47., rel=2, config='[Kr] 5s1.5 5p0 4d9.5', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.4, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.8, tm=.true. / 6 5S 1 0 1.50 0.00 1.60 2.20 0.0 5S 1 0 0.00 6.50 1.60 2.20 0.0 5P 2 1 0.00 0.00 1.60 2.20 0.0 5P 2 1 0.00 6.00 1.60 2.20 0.0 4D 3 2 9.50 0.00 1.60 1.70 0.0 4D 3 2 0.00 0.03 1.60 1.70 0.0 1.940174394796843e-5 1.964578784402175e-5 1.989290143439537e-5 2.014312333109051e-5 2.039649263178766e-5 2.065304892595551e-5 2.091283230103699e-5 2.117588334871300e-5 2.144224317124490e-5 2.171195338789691e-5 2.198505614143909e-5 2.226159410473231e-5 2.254161048739596e-5 2.282514904255950e-5 2.311225407369911e-5 2.340297044155996e-5 2.369734357116603e-5 2.399541945891770e-5 2.429724467977887e-5 2.460286639455442e-5 2.491233235725903e-5 2.522569092257899e-5 2.554299105342768e-5 2.586428232859606e-5 2.618961495049960e-5 2.651903975302234e-5 2.685260820945988e-5 2.719037244056222e-5 2.753238522267762e-5 2.787869999599915e-5 2.822937087291471e-5 2.858445264646226e-5 2.894400079889135e-5 2.930807151033228e-5 2.967672166757445e-5 3.005000887295493e-5 3.042799145335903e-5 3.081072846933394e-5 3.119827972431709e-5 3.159070577398057e-5 3.198806793569303e-5 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