Generated using "atomic" code by A. Dal Corso v.5.0.99 svn rev. 10869 Author: ADC Generation date: 10Apr2014 Pseudopotential type: PAW Element: Be Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 30. Ry Suggested minimum cutoff for charge density: 197. Ry The Pseudo was generated with a Scalar-Relativistic Calculation L component and cutoff radius for Local Potential: 2 1.4000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 2S 1 0 2.00 1.400 2.000 -0.412310 2P 2 1 0.00 1.800 2.000 -0.148356 Generation configuration: 2S 1 0 2.00 1.400 2.000 -0.412308 2S 2 0 0.00 1.400 2.000 6.500000 2P 2 1 0.00 1.800 2.000 -0.148356 2P 2 1 0.00 1.800 2.000 6.300000 3D 3 2 -2.00 1.400 1.400 0.300000 Pseudization used: troullier-martins &input title='Be', zed=4.0, rel=1, config='1s2 2s2.0 2p0.0 3d-2', iswitch=3, dft='PBE' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Be.pbe-n-kjpaw_psl.0.2.UPF', author='ADC', lloc=2, rcloc=1.2, which_augfun='PSQ', rmatch_augfun=1.3, nlcc=.true., new_core_ps=.true., rcore=1.3, tm=.true. lgipaw_reconstruction=.true. use_paw_as_gipaw=.true. / 5 2S 1 0 2.00 0.00 1.40 2.00 0.0 2S 2 0 0.00 6.50 1.40 2.00 0.0 2P 2 1 0.00 0.00 1.80 2.00 0.0 2P 2 1 0.00 6.30 1.80 2.00 0.0 3D 3 2 -2.00 0.30 1.40 1.40 0.0 2.279704913886291E-004 2.308380071672556E-004 2.337415918541455E-004 2.366816991403135E-004 2.396587884235050E-004 2.426733248799772E-004 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