Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Al Functional: PBE Suggested minimum cutoff for wavefunctions: 29. Ry Suggested minimum cutoff for charge density: 144. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.9000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 3S 1 0 2.00 1.700 1.900 -0.569366 3P 2 1 1.00 1.700 2.000 -0.199786 3P 2 1 0.00 1.700 2.000 -0.198591 Generation configuration: 3S 1 0 2.00 1.700 1.900 -0.569364 3S 1 0 0.00 1.700 1.900 6.000000 3P 2 1 1.00 1.700 2.000 -0.199789 3P 2 1 0.00 1.700 2.000 -0.198590 3P 2 1 0.00 1.700 2.000 3.500000 3P 2 1 0.00 1.700 2.000 3.500000 3D 3 2 0.00 1.700 1.900 0.100000 3D 3 2 0.00 1.700 1.900 0.100000 3D 3 2 0.00 1.700 1.900 0.300000 3D 3 2 0.00 1.700 1.900 0.300000 Pseudization used: troullier-martins &input title='Al', zed=13., rel=2, config='[Ne] 3s2 3p1 3d-1', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Al.rel-pbe-n-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.8, tm=.true. / 6 3S 1 0 2.00 0.00 1.70 1.90 0.0 3S 1 0 0.00 6.00 1.70 1.90 0.0 3P 2 1 1.00 0.00 1.70 2.00 0.0 3P 2 1 0.00 3.50 1.70 2.00 0.0 3D 3 2 0.00 0.10 1.70 1.90 0.0 3D 3 2 0.00 0.30 1.70 1.90 0.0 7.014476658111662e-5 7.102707912838633e-5 7.192048980127554e-5 7.282513819701953e-5 7.374116566877076e-5 7.466871534768530e-5 7.560793216528758e-5 7.655896287611625e-5 7.752195608065464e-5 7.849706224855035e-5 7.948443374212593e-5 8.048422484018605e-5 8.149659176212387e-5 8.252169269233052e-5 8.355968780491215e-5 8.461073928871679e-5 8.567501137267717e-5 8.675267035147172e-5 8.784388461150826e-5 8.894882465723521e-5 9.006766313778265e-5 9.120057487393945e-5 9.234773688546928e-5 9.350932841877036e-5 9.468553097488316e-5 9.587652833784997e-5 9.708250660343188e-5 9.830365420818650e-5 9.954016195891139e-5 1.007922230624585e-4 1.020600331559224e-4 1.033437903372098e-4 1.046436951959918e-4 1.059599508450475e-4 1.072927629519999e-4 1.086423397714524e-4 1.100088921775288e-4 1.113926336968227e-4 1.127937805417618e-4 1.142125516443913e-4 1.156491686905825e-4 1.171038561546716e-4 1.185768413345346e-4 1.200683543871025e-4 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