Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: Gd Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 35. Ry Suggested minimum cutoff for charge density: 227. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.0000 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 1.700 -3.704796 6S 2 0 1.50 1.300 1.700 -0.331372 5P 2 1 6.00 1.300 1.800 -2.052407 6P 3 1 0.50 1.300 1.800 -0.120403 5D 3 2 1.00 1.300 2.000 -0.224647 Generation configuration: 5S 1 0 2.00 1.300 1.700 -3.704834 6S 2 0 1.50 1.300 1.700 -0.331378 5P 2 1 6.00 1.300 1.800 -2.052433 6P 3 1 0.50 1.300 1.800 -0.120405 5D 3 2 1.00 1.300 2.000 -0.224660 5D 3 2 0.00 1.300 2.000 2.000000 Pseudization used: troullier-martins &input title='Gd', zed=64.0, rel=1, config='[Xe] 4f7.0 5d1.0 6s1.5 6p0.5', iswitch=3, dft='PBE' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Gd.pbe-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=1.1, tm=.true. / 6 5S 1 0 2.00 0.00 1.30 1.70 0.0 6S 2 0 1.50 0.00 1.30 1.70 0.0 5P 2 1 6.00 0.00 1.30 1.80 0.0 6P 3 1 0.50 0.00 1.30 1.80 0.0 5D 3 2 1.00 0.00 1.30 2.00 0.0 5D 3 2 0.00 2.00 1.30 2.00 0.0 1.424815571178931e-5 1.442737544795347e-5 1.460884949088410e-5 1.479260619626959e-5 1.497867427646906e-5 1.516708280499858e-5 1.535786122107404e-5 1.555103933421111e-5 1.574664732888298e-5 1.594471576923679e-5 1.614527560386933e-5 1.634835817066279e-5 1.655399520168141e-5 1.676221882812964e-5 1.697306158537278e-5 1.718655641802060e-5 1.740273668507505e-5 1.762163616514269e-5 1.784328906171261e-5 1.806773000850090e-5 1.829499407486210e-5 1.852511677126895e-5 1.875813405486095e-5 1.899408233506273e-5 1.923299847927314e-5 1.947491981862577e-5 1.971988415382210e-5 1.996792976103788e-5 2.021909539790387e-5 2.047342030956187e-5 2.073094423479674e-5 2.099170741224573e-5 2.125575058668584e-5 2.152311501540027e-5 2.179384247462498e-5 2.206797526607628e-5 2.234555622356054e-5 2.262662871966712e-5 2.291123667254536e-5 2.319942455276698e-5 2.349123739027457e-5 2.378672078141769e-5 2.408592089607735e-5 2.438888448488019e-5 2.469565888650339e-5 2.500629203507132e-5 2.532083246764541e-5 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