Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: USPP Element: In Functional: PBE Suggested minimum cutoff for wavefunctions: 48. Ry Suggested minimum cutoff for charge density: 193. 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 5S 1 0 2.00 1.800 2.000 -0.594934 5P 2 1 1.00 2.300 2.500 -0.194077 5P 2 1 0.00 2.300 2.500 -0.172409 4D 3 2 4.00 1.600 2.000 -1.394112 4D 3 2 6.00 1.600 2.000 -1.330972 Generation configuration: 5S 1 0 2.00 1.800 2.000 -0.594931 5S 1 0 0.00 1.800 2.000 3.100000 5P 2 1 1.00 2.300 2.500 -0.194078 5P 2 1 0.00 2.300 2.500 -0.172408 5P 2 1 0.00 2.300 2.500 6.300000 5P 2 1 0.00 2.300 2.500 6.300000 4D 3 2 4.00 1.600 2.000 -1.394112 4D 3 2 6.00 1.600 2.000 -1.330971 4D 3 2 0.00 1.600 2.000 -0.600000 4D 3 2 0.00 1.600 2.000 -0.600000 Pseudization used: troullier-martins title='In', zed=49., rel=2, config='[Kr] 4d10.0 5s2.0 5p1.0', iswitch=3, dft='PBE' / &inputp pseudotype=3, file_pseudopw='In.rel-pbe-dn-rrkjus_psl.0.2.2.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='PSQ', rmatch_augfun=1.9, nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 6 5S 1 0 2.00 0.00 1.80 2.00 0.0 5S 1 0 0.00 3.10 1.80 2.00 0.0 5P 2 1 1.00 0.00 2.30 2.50 0.0 5P 2 1 0.00 6.30 2.30 2.50 0.0 4D 3 2 10.00 0.00 1.60 2.00 0.0 4D 3 2 0.00 -0.60 1.60 2.00 0.0 1.860983603172482E-005 1.884391895242903E-005 1.908094627380780E-005 1.932095503186233E-005 1.956398272844938E-005 1.981006733714100E-005 2.005924730915793E-005 2.031156157937778E-005 2.056704957241858E-005 2.082575120879907E-005 2.108770691117627E-005 2.135295761066160E-005 2.162154475321653E-005 2.189351030612851E-005 2.216889676456853E-005 2.244774715823098E-005 2.273010505805721E-005 2.301601458304352E-005 2.330552040713485E-005 2.359866776620526E-005 2.389550246512601E-005 2.419607088492271E-005 2.450041999002246E-005 2.480859733559214E-005 2.512065107496900E-005 2.543662996718469E-005 2.575658338458397E-005 2.608056132053928E-005 2.640861439726220E-005 2.674079387371347E-005 2.707715165361207E-005 2.741774029354544E-005 2.776261301118151E-005 2.811182369358402E-005 2.846542690563263E-005 2.882347789854860E-005 2.918603261852805E-005 2.955314771548358E-005 2.992488055189598E-005 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