Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Pb Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 41. Ry Suggested minimum cutoff for charge density: 165. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.2000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 6S 1 0 2.00 2.000 2.200 -0.829410 6P 2 1 2.00 2.400 2.600 -0.295131 6P 2 1 0.00 2.400 2.600 -0.192283 5D 3 2 4.00 1.600 2.100 -1.588238 5D 3 2 6.00 1.600 2.100 -1.398573 Generation configuration: 6S 1 0 2.00 2.000 2.200 -0.829407 6S 1 0 0.00 2.000 2.200 5.000000 6P 2 1 2.00 2.400 2.600 -0.295131 6P 2 1 0.00 2.400 2.600 -0.192282 6P 2 1 0.00 2.400 2.600 6.500000 6P 2 1 0.00 2.400 2.600 6.500000 5D 3 2 4.00 1.600 2.100 -1.588236 5D 3 2 6.00 1.600 2.100 -1.398570 5D 3 2 0.00 1.600 2.100 -0.900000 5D 3 2 0.00 1.600 2.100 -0.900000 Pseudization used: troullier-martins title='Pb', zed=82.0, rel=2, config='[Xe] 4f14 5d10 6s2 6p2', iswitch=3, dft='PBESOL' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Pb.rel-pbesol-dn-kjpaw_psl.0.2.2.UPF', author='ADC', lloc=-1, rcloc=2.2, which_augfun='PSQ', rmatch_augfun=1.6, nlcc=.true., new_core_ps=.true., rcore=1.4, tm=.true. / 6 6S 1 0 2.00 0.00 2.00 2.20 0.0 6S 1 0 0.00 5.00 2.00 2.20 0.0 6P 2 1 2.00 0.00 2.40 2.60 0.0 6P 2 1 0.00 6.50 2.40 2.60 0.0 5D 3 2 10.00 0.00 1.60 2.10 0.0 5D 3 2 0.00 -0.90 1.60 2.10 0.0 1.112051177505508E-005 1.126039059352466E-005 1.140202887093393E-005 1.154544873855188E-005 1.169067260602463E-005 1.183772316487694E-005 1.198662339205779E-005 1.213739655353063E-005 1.229006620790866E-005 1.244465621013603E-005 1.260119071521509E-005 1.275969418198071E-005 1.292019137692207E-005 1.308270737805240E-005 1.324726757882753E-005 1.341389769211364E-005 1.358262375420492E-005 1.375347212889186E-005 1.392646951158058E-005 1.410164293346412E-005 1.427901976574603E-005 1.445862772391723E-005 1.464049487208660E-005 1.482464962736603E-005 1.501112076431074E-005 1.519993741941524E-005 1.539112909566603E-005 1.558472566715152E-005 1.578075738372985E-005 1.597925487575561E-005 1.618024915886575E-005 1.638377163882594E-005 1.658985411643773E-005 1.679852879250752E-005 1.700982827287803E-005 1.722378557352295E-005 1.744043412570578E-005 1.765980778120361E-005 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