Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Te Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 34. Ry Suggested minimum cutoff for charge density: 149. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.2000 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 2.000 -1.118964 5P 2 1 2.00 1.900 2.400 -0.484362 5P 2 1 2.00 1.900 2.400 -0.424519 4D 3 2 4.00 1.600 1.900 -3.112519 4D 3 2 6.00 1.600 1.900 -3.004033 Generation configuration: 5S 1 0 2.00 1.700 2.000 -1.118961 5S 1 0 0.00 1.700 2.000 6.300000 5P 2 1 2.00 1.900 2.400 -0.484362 5P 2 1 2.00 1.900 2.400 -0.424517 5P 2 1 0.00 1.900 2.400 6.300000 5P 2 1 0.00 1.900 2.400 6.300000 4D 3 2 4.00 1.600 1.900 -3.112519 4D 3 2 6.00 1.600 1.900 -3.004033 4D 3 2 0.00 1.600 1.900 1.300000 4D 3 2 0.00 1.600 1.900 1.300000 Pseudization used: troullier-martins title='Te', zed=52., rel=2, config='[Kr] 4d10.0 5s2.0 5p4.00 5d-2.0', iswitch=3, dft='LDA' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Te.rel-pz-dn-kjpaw_psl.0.2.2.UPF', author='ADC', lloc=-1, rcloc=2.2, which_augfun='PSQ', rmatch_augfun=1.7, nlcc=.true., rcore=0.9, tm=.true. / 6 5S 1 0 2.00 0.00 1.70 2.00 0.0 5S 1 0 0.00 6.30 1.70 2.00 0.0 5P 2 1 4.00 0.00 1.90 2.40 0.0 5P 2 1 0.00 6.30 1.90 2.40 0.0 4D 3 2 10.00 0.00 1.60 1.90 0.0 4D 3 2 0.00 1.30 1.60 1.90 0.0 1.753619164527916E-005 1.775676978209658E-005 1.798012245031889E-005 1.820628454925488E-005 1.843529141719269E-005 1.866717883692133E-005 1.890198304132190E-005 1.913974071902906E-005 1.938048902016366E-005 1.962426556213759E-005 1.987110843553148E-005 2.012105621004651E-005 2.037414794053097E-005 2.063042317308263E-005 2.088992195122804E-005 2.115268482217920E-005 2.141875284316929E-005 2.168816758786793E-005 2.196097115287707E-005 2.223720616430880E-005 2.251691578444566E-005 2.280014371848486E-005 2.308693422136732E-005 2.337733210469259E-005 2.367138274372079E-005 2.396913208446249E-005 2.427062665085797E-005 2.457591355204662E-005 2.488504048972785E-005 2.519805576561462E-005 2.551500828898061E-005 2.583594758430244E-005 2.616092379899796E-005 2.648998771126187E-005 2.682319073799998E-005 2.716058494286311E-005 2.750222304438220E-005 2.784815842420568E-005 2.819844513544044E-005 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