Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Ta Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 53. Ry Suggested minimum cutoff for charge density: 407. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.3000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.400 1.600 -5.337738 6S 2 0 2.00 1.100 1.600 -0.406371 5P 2 1 2.00 1.500 1.600 -3.347230 5P 2 1 4.00 1.500 1.600 -2.699304 6P 3 1 0.00 1.300 1.600 -0.130617 6P 3 1 0.00 1.300 1.600 -0.097319 5D 3 2 3.00 1.700 1.900 -0.289415 5D 3 2 0.00 1.700 1.900 -0.246951 Generation configuration: 5S 1 0 2.00 1.400 1.600 -5.337739 6S 2 0 2.00 1.100 1.600 -0.406371 5P 2 1 2.00 1.500 1.600 -3.347232 5P 2 1 4.00 1.500 1.600 -2.699306 6P 3 1 0.00 1.300 1.600 -0.130620 6P 3 1 0.00 1.300 1.600 -0.097320 5D 3 2 3.00 1.700 1.900 -0.289417 5D 3 2 0.00 1.700 1.900 -0.246950 5D 3 2 -2.00 1.700 1.900 0.300000 5D 3 2 0.00 1.700 1.900 0.300000 Pseudization used: troullier-martins title='Ta', zed=73.0, rel=2, config='[Xe] 4f14 5d3.0 6s2 6p0', iswitch=3, dft='LDA' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Ta.rel-pz-spn-kjpaw_psl.0.2.UPF', author='ADC', lloc=-1, rcloc=2.3, which_augfun='PSQ', rmatch_augfun=1.0, nlcc=.true., new_core_ps=.true., rcore=1.1, tm=.true. / 6 5S 1 0 2.00 0.00 1.40 1.60 0.0 6S 2 0 2.00 0.00 1.10 1.60 0.0 5P 2 1 6.00 0.00 1.50 1.60 0.0 6P 3 1 0.00 0.00 1.30 1.60 0.0 5D 3 2 3.00 0.00 1.70 1.90 0.0 5D 3 2 -2.00 0.30 1.70 1.90 0.0 1.249153377471940E-005 1.264865792697291E-005 1.280775845776140E-005 1.296886022686649E-005 1.313198840676740E-005 1.329716848657409E-005 1.346442627601012E-005 1.363378790944536E-005 1.380527984997960E-005 1.397892889357746E-005 1.415476217325530E-005 1.433280716332080E-005 1.451309168366589E-005 1.469564390411366E-005 1.488049234881997E-005 1.506766590073039E-005 1.525719380609319E-005 1.544910567902921E-005 1.564343150615901E-005 1.584020165128846E-005 1.603944686015307E-005 1.624119826522209E-005 1.644548739056302E-005 1.665234615676733E-005 1.686180688593810E-005 1.707390230674040E-005 1.728866555951527E-005 1.750613020145787E-005 1.772633021186093E-005 1.794929999742411E-005 1.817507439763002E-005 1.840368869018804E-005 1.863517859654649E-005 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