Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: P Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 34. Ry Suggested minimum cutoff for charge density: 171. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.8000 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 1.500 1.800 -1.025609 3P 2 1 2.00 1.500 1.800 -0.406487 3P 2 1 1.00 1.500 1.800 -0.402564 Generation configuration: 3S 1 0 2.00 1.500 1.800 -1.025605 3S 1 0 0.00 1.500 1.800 6.000000 3P 2 1 2.00 1.500 1.800 -0.406489 3P 2 1 1.00 1.500 1.800 -0.402560 3P 2 1 0.00 1.500 1.800 3.000000 3P 2 1 0.00 1.500 1.800 3.000000 3D 3 2 0.00 1.500 1.800 0.100000 3D 3 2 0.00 1.500 1.800 0.100000 3D 3 2 0.00 1.500 1.800 0.300000 3D 3 2 0.00 1.500 1.800 0.300000 Pseudization used: troullier-martins &input title='P', zed=15., rel=2, config='[Ne] 3s2 3p3 3d-1', iswitch=3, dft='PBE' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='P.rel-pbe-n-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.8, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.5, tm=.true. / 6 3S 1 0 2.00 0.00 1.50 1.80 0.0 3S 1 0 0.00 6.00 1.50 1.80 0.0 3P 2 1 3.00 0.00 1.50 1.80 0.0 3P 2 1 0.00 3.00 1.50 1.80 0.0 3D 3 2 0.00 0.10 1.50 1.80 0.0 3D 3 2 0.00 0.30 1.50 1.80 0.0 6.079213103696776e-5 6.155680191126814e-5 6.233109116110547e-5 6.311511977075027e-5 6.390901024626800e-5 6.471288663466058e-5 6.552687454324923e-5 6.635110115930076e-5 6.718569526990068e-5 6.803078728207696e-5 6.888650924317581e-5 6.975299486149458e-5 7.063037952717401e-5 7.151880033335312e-5 7.241839609759053e-5 7.332930738355455e-5 7.425167652298689e-5 7.518564763794215e-5 7.613136666330717e-5 7.708898136960385e-5 7.805864138607830e-5 7.904049822408085e-5 8.003470530074006e-5 8.104141796293431e-5 8.206079351156539e-5 8.309299122613664e-5 8.413817238964098e-5 8.519650031376163e-5 8.626814036438986e-5 8.735325998746401e-5 8.845202873513276e-5 8.956461829224846e-5 9.069120250319294e-5 9.183195739904113e-5 9.298706122506658e-5 9.415669446859210e-5 9.534103988719163e-5 9.654028253724636e-5 9.775460980286020e-5 9.898421142513911e-5 1.002292795318382e-4 1.014900086673821e-4 1.027665958232634e-4 1.040592404688222e-4 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