Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: V Functional: SLA PZ NOGX NOGC Suggested minimum cutoff for wavefunctions: 48. Ry Suggested minimum cutoff for charge density: 632. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.5000 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 3S 1 0 2.00 0.750 1.550 -5.128841 4S 2 0 2.00 0.750 1.600 -0.356399 3P 2 1 2.00 0.850 1.400 -3.268962 3P 2 1 4.00 0.850 1.400 -3.207221 3D 3 2 3.00 1.000 1.550 -0.396687 3D 3 2 0.00 1.000 1.550 -0.391836 Generation configuration: 3S 1 0 2.00 0.750 1.550 -5.128841 4S 2 0 2.00 0.750 1.600 -0.356399 3P 2 1 2.00 0.850 1.400 -3.268960 3P 2 1 4.00 0.850 1.400 -3.207214 4P 3 1 0.00 0.850 1.400 7.000000 4P 3 1 0.00 0.850 1.400 7.000000 3D 3 2 3.00 1.000 1.550 -0.396690 3D 3 2 0.00 1.000 1.550 -0.391828 3D 3 2 0.00 1.000 1.550 5.000000 3D 3 2 0.00 1.000 1.550 5.000000 Pseudization used: troullier-martins &input title='V', zed=23., rel=2, config='[Ar] 4s2 4p0 3d3', iswitch=3, dft='LDA' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='V.rel-pz-spnl-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.5, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=0.8, tm=.true. / 6 3S 1 0 2.00 0.00 0.75 1.55 0.0 4S 2 0 2.00 0.00 0.75 1.60 0.0 3P 2 1 6.00 0.00 0.85 1.40 0.0 4P 3 1 0.00 7.00 0.85 1.40 0.0 3D 3 2 3.00 0.00 1.00 1.55 0.0 3D 3 2 0.00 5.00 1.00 1.55 0.0 3.964704198063114e-5 4.014574037691402e-5 4.065071162680792e-5 4.116203463309800e-5 4.167978929104434e-5 4.220405650086560e-5 4.273491818037995e-5 4.327245727780483e-5 4.381675778471785e-5 4.436790474918063e-5 4.492598428902769e-5 4.549108360532255e-5 4.606329099598305e-5 4.664269586957813e-5 4.722938875929817e-5 4.782346133710079e-5 4.842500642803492e-5 4.903411802474488e-5 4.965089130215684e-5 5.027542263235034e-5 5.090780959961628e-5 5.154815101570492e-5 5.219654693526525e-5 5.285309867147890e-5 5.351790881189046e-5 5.419108123443693e-5 5.487272112367889e-5 5.556293498723583e-5 5.626183067242819e-5 5.696951738312869e-5 5.768610569682572e-5 5.841170758190116e-5 5.914643641512582e-5 5.989040699937467e-5 6.064373558156517e-5 6.140653987082095e-5 6.217893905686410e-5 6.296105382863894e-5 6.375300639316971e-5 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