Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Sn Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 25. Ry Suggested minimum cutoff for charge density: 102. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.3000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 2.000 2.200 -0.758571 5P 2 1 2.00 2.300 2.500 -0.281534 5P 2 1 0.00 2.300 2.500 -0.249556 4D 3 2 4.00 1.700 2.400 -1.919256 4D 3 2 6.00 1.700 2.400 -1.842784 Generation configuration: 5S 1 0 2.00 2.000 2.200 -0.758569 5S 1 0 0.00 2.000 2.200 3.100000 5P 2 1 2.00 2.300 2.500 -0.281534 5P 2 1 0.00 2.300 2.500 -0.249555 5P 2 1 0.00 2.300 2.500 6.300000 5P 2 1 0.00 2.300 2.500 6.300000 4D 3 2 4.00 1.700 2.400 -1.919256 4D 3 2 6.00 1.700 2.400 -1.842783 4D 3 2 0.00 1.700 2.400 4.300000 4D 3 2 0.00 1.700 2.400 4.300000 Pseudization used: troullier-martins title='Sn', zed=50., rel=2, config='[Kr] 4d10.0 5s2.0 5p2.0', iswitch=3, dft='PBE' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Sn.rel-pbe-dn-kjpaw_psl.0.2.UPF', author='ADC', lloc=-1, rcloc=2.3, which_augfun='BESSEL', rmatch_augfun=2.1, nlcc=.true., rcore=1.2, tm=.true. / 6 5S 1 0 2.00 0.00 2.00 2.20 0.0 5S 1 0 0.00 3.10 2.00 2.20 0.0 5P 2 1 2.00 0.00 2.30 2.50 0.0 5P 2 1 0.00 6.30 2.30 2.50 0.0 4D 3 2 10.00 0.00 1.70 2.40 0.0 4D 3 2 0.00 4.30 1.70 2.40 0.0 1.823763931109033E-005 1.846704057338044E-005 1.869932734833164E-005 1.893453593122508E-005 1.917270307388040E-005 1.941386599039818E-005 1.965806236297477E-005 1.990533034779023E-005 2.015570858097021E-005 2.040923618462309E-005 2.066595277295274E-005 2.092589845844837E-005 2.118911385815220E-005 2.145564010000594E-005 2.172551882927716E-005 2.199879221506636E-005 2.227550295689606E-005 2.255569429138265E-005 2.283940999899215E-005 2.312669441088115E-005 2.341759241582349E-005 2.371214946722426E-005 2.401041159022202E-005 2.431242538888029E-005 2.461823805346962E-005 2.492789736784099E-005 2.524145171689229E-005 2.555895009412849E-005 2.588044210931696E-005 2.620597799623920E-005 2.653560862053983E-005 2.686938548767454E-005 2.720736075095788E-005 2.754958721971234E-005 2.789611836751997E-005 2.824700834057763E-005 2.860231196615749E-005 2.896208476117391E-005 2.932638294085806E-005 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