Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Br Functional: PBESOL Suggested minimum cutoff for wavefunctions: 56. Ry Suggested minimum cutoff for charge density: 289. 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 1.700 -1.477028 4P 2 1 2.00 1.400 1.700 -0.600346 4P 2 1 3.00 1.400 1.700 -0.563654 3D 3 2 4.00 1.300 1.500 -4.944824 3D 3 2 6.00 1.300 1.500 -4.865056 Generation configuration: 4S 1 0 2.00 1.300 1.700 -1.477025 4S 1 0 0.00 1.300 1.700 6.000000 4P 2 1 2.00 1.400 1.700 -0.600347 4P 2 1 3.00 1.400 1.700 -0.563648 4P 2 1 0.00 1.400 1.700 6.000000 4P 2 1 0.00 1.400 1.700 6.000000 3D 3 2 4.00 1.300 1.500 -4.944824 3D 3 2 6.00 1.300 1.500 -4.865057 3D 3 2 0.00 1.300 1.500 0.050000 3D 3 2 0.00 1.300 1.500 0.050000 Pseudization used: troullier-martins &input title='Br', zed=35., rel=2, config='[Ar] 4s2 4p5 3d10', iswitch=3, dft='PBESOL' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Br.rel-pbesol-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=1.8, tm=.true. / 6 4S 1 0 2.00 0.00 1.30 1.70 0.0 4S 1 0 0.00 6.00 1.30 1.70 0.0 4P 2 1 5.00 0.00 1.40 1.70 0.0 4P 2 1 0.00 6.00 1.40 1.70 0.0 3D 3 2 10.00 0.00 1.30 1.50 0.0 3D 3 2 0.00 0.05 1.30 1.50 0.0 2.605377044441475e-5 2.638148653340063e-5 2.671332478333092e-5 2.704933704460726e-5 2.738957581982914e-5 2.773409427199740e-5 2.808294623282110e-5 2.843618621112889e-5 2.879386940138601e-5 2.915605169231871e-5 2.952278967564677e-5 2.989414065492624e-5 3.027016265450315e-5 3.065091442857991e-5 3.103645547039593e-5 3.142684602152338e-5 3.182214708128009e-5 3.222242041626093e-5 3.262772856998879e-5 3.303813487268736e-5 3.345370345117641e-5 3.387449923889180e-5 3.430058798603146e-5 3.473203626982899e-5 3.516891150495661e-5 3.561128195405856e-5 3.605921673841756e-5 3.651278584875499e-5 3.697206015616708e-5 3.743711142319886e-5 3.790801231505690e-5 3.838483641096363e-5 3.886765821565412e-5 3.935655317101763e-5 3.985159766788568e-5 4.035286905796804e-5 4.086044566593927e-5 4.137440680167702e-5 4.189483277265437e-5 4.242180489648820e-5 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