Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: Pr Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 41. Ry Suggested minimum cutoff for charge density: 310. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.0000 Pseudopotential contains additional information for spin-orbit calculations. Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.300 1.600 -3.137134 6S 2 0 1.50 1.300 1.600 -0.311531 5P 2 1 2.00 1.400 1.800 -1.955934 5P 2 1 4.00 1.400 1.800 -1.732328 6P 3 1 0.50 1.400 1.800 -0.132408 6P 3 1 0.00 1.400 1.800 -0.116940 5D 3 2 1.00 1.100 1.700 -0.268308 5D 3 2 0.00 1.100 1.700 -0.252079 Generation configuration: 5S 1 0 2.00 1.300 1.600 -3.137127 6S 2 0 1.50 1.300 1.600 -0.311533 5P 2 1 2.00 1.400 1.800 -1.955927 5P 2 1 4.00 1.400 1.800 -1.732314 6P 3 1 0.50 1.400 1.800 -0.132410 6P 3 1 0.00 1.400 1.800 -0.116940 5D 3 2 1.00 1.100 1.700 -0.268315 5D 3 2 0.00 1.100 1.700 -0.252074 5D 3 2 0.00 1.100 1.700 2.000000 5D 3 2 0.00 1.100 1.700 2.000000 Pseudization used: troullier-martins &input title='Pr', zed=59.0, rel=2, config='[Xe] 4f2.0 5d1.0 6s1.5 6p0.5', iswitch=3, dft='LDA' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Pr.rel-pz-spdn-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.0, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.4, tm=.true. / 6 5S 1 0 2.00 0.00 1.30 1.60 0.0 6S 2 0 1.50 0.00 1.30 1.60 0.0 5P 2 1 6.00 0.00 1.40 1.80 0.0 6P 3 1 0.50 0.00 1.40 1.80 0.0 5D 3 2 1.00 0.00 1.10 1.70 0.0 5D 3 2 0.00 2.00 1.10 1.70 0.0 1.545562653482231e-5 1.565003438422072e-5 1.584688758333190e-5 1.604621689086871e-5 1.624805345244101e-5 1.645242880542219e-5 1.665937488387693e-5 1.686892402355103e-5 1.708110896692390e-5 1.729596286832465e-5 1.751351929911249e-5 1.773381225292234e-5 1.795687615097644e-5 1.818274584746266e-5 1.841145663498064e-5 1.864304425005625e-5 1.887754487872548e-5 1.911499516218868e-5 1.935543220253572e-5 1.959889356854335e-5 1.984541730154533e-5 2.009504192137649e-5 2.034780643239154e-5 2.060375032955957e-5 2.086291360463527e-5 2.112533675240762e-5 2.139106077702737e-5 2.166012719841397e-5 2.193257805874318e-5 2.220845592901627e-5 2.248780391571172e-5 2.277066566752079e-5 2.305708538216769e-5 2.334710781331554e-5 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