Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: PAW Element: Ce Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 37. Ry Suggested minimum cutoff for charge density: 179. 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 1.700 -3.012442 6S 2 0 1.50 1.300 1.700 -0.295166 5P 2 1 2.00 1.400 1.900 -1.879928 5P 2 1 4.00 1.400 1.900 -1.678186 6P 3 1 0.50 1.400 1.900 -0.125765 6P 3 1 0.00 1.400 1.900 -0.112120 5D 3 2 1.00 1.500 1.800 -0.261430 5D 3 2 0.00 1.500 1.800 -0.246257 Generation configuration: 5S 1 0 2.00 1.300 1.700 -3.012431 6S 2 0 1.50 1.300 1.700 -0.295166 5P 2 1 2.00 1.400 1.900 -1.879918 5P 2 1 4.00 1.400 1.900 -1.678170 6P 3 1 0.50 1.400 1.900 -0.125766 6P 3 1 0.00 1.400 1.900 -0.112118 5D 3 2 1.00 1.500 1.800 -0.261436 5D 3 2 0.00 1.500 1.800 -0.246248 5D 3 2 0.00 1.500 1.800 2.000000 5D 3 2 0.00 1.500 1.800 2.000000 Pseudization used: troullier-martins &input title='Ce', zed=58.0, rel=2, config='[Xe] 4f1 5d1.0 6s1.5 6p0.5', iswitch=3, dft='PBE' / &inputp lpaw=.true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Ce.rel-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 1.40 1.90 0.0 6P 3 1 0.50 0.00 1.40 1.90 0.0 5D 3 2 1.00 0.00 1.50 1.80 0.0 5D 3 2 0.00 2.00 1.50 1.80 0.0 1.572210285438821e-5 1.591986256325900e-5 1.612010978304452e-5 1.632287580278024e-5 1.652819230506930e-5 1.673609137103291e-5 1.694660548532308e-5 1.715976754119847e-5 1.737561084566397e-5 1.759416912467508e-5 1.781547652840753e-5 1.803956763659342e-5 1.826647746392431e-5 1.849624146552236e-5 1.872889554248031e-5 1.896447604747100e-5 1.920301979042764e-5 1.944456404429538e-5 1.968914655085530e-5 1.993680552662169e-5 2.018757966881335e-5 2.044150816140022e-5 2.069863068122587e-5 2.095898740420715e-5 2.122261901161174e-5 2.148956669641465e-5 2.175987216973473e-5 2.203357766735214e-5 2.231072595630773e-5 2.259136034158551e-5 2.287552467287917e-5 2.316326335144357e-5 2.345462133703266e-5 2.374964415492443e-5 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