Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Pd Functional: SLA PW PBX PBC Suggested minimum cutoff for wavefunctions: 32. Ry Suggested minimum cutoff for charge density: 454. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.1000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 0.00 2.100 2.300 -0.244327 5P 2 1 0.00 2.200 2.600 -0.026681 5P 2 1 0.00 2.200 2.600 -0.021658 4D 3 2 4.00 1.700 1.900 -0.317226 4D 3 2 6.00 1.700 1.900 -0.285269 Generation configuration: 5S 1 0 0.00 2.100 2.300 -0.244326 5S 1 0 0.00 2.100 2.300 5.500000 5P 2 1 0.00 2.200 2.600 -0.026681 5P 2 1 0.00 2.200 2.600 -0.021657 5P 2 1 0.00 2.200 2.600 6.300000 5P 2 1 0.00 2.200 2.600 6.300000 4D 3 2 4.00 1.700 1.900 -0.317224 4D 3 2 6.00 1.700 1.900 -0.285266 4D 3 2 0.00 1.700 1.900 4.300000 4D 3 2 0.00 1.700 1.900 4.300000 Pseudization used: troullier-martins title='Pd', zed=46., rel=2, config='[Kr] 4d10. 5s0. 5p0.0', iswitch=3, dft='PBE' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Pd.rel-pbe-n-kjpaw_psl.0.2.2.UPF', author='ADC', lloc=-1, rcloc=2.1, which_augfun='PSQ', rmatch_augfun=0.9, nlcc=.true., tm=.true. / 6 5S 1 0 0.00 0.00 2.10 2.30 0.0 5S 1 0 0.00 5.50 2.10 2.30 0.0 5P 2 1 0.00 0.00 2.20 2.60 0.0 5P 2 1 0.00 6.30 2.20 2.60 0.0 4D 3 2 10.00 0.00 1.70 1.90 0.0 4D 3 2 0.00 4.30 1.70 1.90 0.0 1.982352099031557E-005 2.007287018845700E-005 2.032535581340396E-005 2.058101731654900E-005 2.083989464552217E-005 2.110202825043280E-005 2.136745909018997E-005 2.163622863890242E-005 2.190837889235892E-005 2.218395237459032E-005 2.246299214451385E-005 2.274554180266127E-005 2.303164549799152E-005 2.332134793478906E-005 2.361469437964908E-005 2.391173066855040E-005 2.421250321401746E-005 2.451705901237244E-005 2.482544565107843E-005 2.513771131617517E-005 2.545390479980814E-005 2.577407550785245E-005 2.609827346763263E-005 2.642654933573945E-005 2.675895440594524E-005 2.709554061721847E-005 2.743636056183945E-005 2.778146749361792E-005 2.813091533621409E-005 2.848475869156435E-005 2.884305284841286E-005 2.920585379095058E-005 2.957321820756291E-005 2.994520349968733E-005 3.032186779078258E-005 3.070326993541047E-005 3.108946952843205E-005 3.148052691431947E-005 3.187650319658485E-005 3.227746024732798E-005 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