Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Ta Functional: PBE Suggested minimum cutoff for wavefunctions: 44. Ry Suggested minimum cutoff for charge density: 265. 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 1.000 1.500 -5.324097 6S 2 0 2.00 1.000 1.500 -0.393160 5P 2 1 2.00 1.100 1.400 -3.330628 5P 2 1 4.00 1.100 1.400 -2.689246 5D 3 2 3.00 1.500 1.800 -0.274727 5D 3 2 0.00 1.500 1.800 -0.232739 Generation configuration: 5S 1 0 2.00 1.000 1.500 -5.324098 6S 2 0 2.00 1.000 1.500 -0.393160 5P 2 1 2.00 1.100 1.400 -3.330628 5P 2 1 4.00 1.100 1.400 -2.689246 6P 3 1 0.00 1.100 1.400 -2.400000 6P 3 1 0.00 1.100 1.400 -2.400000 5D 3 2 3.00 1.500 1.800 -0.274728 5D 3 2 0.00 1.500 1.800 -0.232737 5D 3 2 0.00 1.500 1.800 0.050000 5D 3 2 0.00 1.500 1.800 0.050000 Pseudization used: troullier-martins &input title='Ta', zed=73., rel=2, config='[Xe] 4f14 6s2 6p0 5d3', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Ta.rel-pbe-spn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.3, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 6 5S 1 0 2.00 0.00 1.00 1.50 0.0 6S 2 0 2.00 0.00 1.00 1.50 0.0 5P 2 1 6.00 0.00 1.10 1.40 0.0 6P 3 1 0.00 -2.40 1.10 1.40 0.0 5D 3 2 3.00 0.00 1.50 1.80 0.0 5D 3 2 0.00 0.05 1.50 1.80 0.0 1.249153377471940e-5 1.264865792697291e-5 1.280775845776140e-5 1.296886022686649e-5 1.313198840676739e-5 1.329716848657409e-5 1.346442627601012e-5 1.363378790944536e-5 1.380527984997959e-5 1.397892889357746e-5 1.415476217325530e-5 1.433280716332080e-5 1.451309168366589e-5 1.469564390411365e-5 1.488049234881997e-5 1.506766590073039e-5 1.525719380609319e-5 1.544910567902921e-5 1.564343150615901e-5 1.584020165128846e-5 1.603944686015307e-5 1.624119826522210e-5 1.644548739056302e-5 1.665234615676733e-5 1.686180688593810e-5 1.707390230674040e-5 1.728866555951527e-5 1.750613020145787e-5 1.772633021186093e-5 1.794929999742411e-5 1.817507439763002e-5 1.840368869018804e-5 1.863517859654649e-5 1.886958028747421e-5 1.910693038871231e-5 1.934726598669701e-5 1.959062463435445e-5 1.983704435696843e-5 2.008656365812196e-5 2.033922152571352e-5 2.059505743804894e-5 2.085411137001002e-5 2.111642379930069e-5 2.138203571277168e-5 2.165098861282489e-5 2.192332452389814e-5 2.219908599903160e-5 2.247831612651679e-5 2.276105853662923e-5 2.304735740844577e-5 2.333725747674759e-5 2.363080403901017e-5 2.392804296248109e-5 2.422902069134686e-5 2.453378425399000e-5 2.484238127033719e-5 2.515485995930010e-5 2.547126914630960e-5 2.579165827094489e-5 2.611607739465859e-5 2.644457720859876e-5 2.677720904152969e-5 2.711402486785200e-5 2.745507731572383e-5 2.780041967528403e-5 2.815010590697889e-5 2.850419064999356e-5 2.886272923078951e-5 2.922577767174943e-5 2.959339269993089e-5 2.996563175592994e-5 3.034255300285640e-5 3.072421533542196e-5 3.111067838914256e-5 3.150200254965665e-5 3.189824896216047e-5 3.229947954096209e-5 3.270575697915580e-5 3.311714475841785e-5 3.353370715892580e-5 3.395550926940217e-5 3.438261699728491e-5 3.481509707902545e-5 3.525301709051644e-5 3.569644545765066e-5 3.614545146701262e-5 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