Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 4Sep2018 Pseudopotential type: USPP Element: Pd Functional: PBESOL Suggested minimum cutoff for wavefunctions: 37. Ry Suggested minimum cutoff for charge density: 448. 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 5S 1 0 1.00 2.000 2.400 -0.321404 5P 2 1 0.00 2.000 2.600 -0.059503 5P 2 1 0.00 2.000 2.600 -0.051164 4D 3 2 4.00 0.900 1.900 -0.512066 4D 3 2 5.00 0.900 1.900 -0.477488 Generation configuration: 5S 1 0 1.00 2.000 2.400 -0.321403 5S 1 0 0.00 2.000 2.400 4.000000 5P 2 1 0.00 2.000 2.600 -0.059503 5P 2 1 0.00 2.000 2.600 -0.051164 5P 2 1 0.00 2.000 2.600 3.500000 5P 2 1 0.00 2.000 2.600 3.500000 4D 3 2 4.00 0.900 1.900 -0.512066 4D 3 2 5.00 0.900 1.900 -0.477486 4D 3 2 0.00 0.900 1.900 0.050000 4D 3 2 0.00 0.900 1.900 0.050000 Pseudization used: troullier-martins &input title='Pd', zed=46., rel=2, config='[Kr] 5s1 5p0 4d9', iswitch=3, dft='PBESOL' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Pd.rel-pbesol-n-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.2, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.8, tm=.true. / 6 5S 1 0 1.00 0.00 2.00 2.40 0.0 5S 1 0 0.00 4.00 2.00 2.40 0.0 5P 2 1 0.00 0.00 2.00 2.60 0.0 5P 2 1 0.00 3.50 2.00 2.60 0.0 4D 3 2 9.00 0.00 0.90 1.90 0.0 4D 3 2 0.00 0.05 0.90 1.90 0.0 1.982352099031557e-5 2.007287018845701e-5 2.032535581340396e-5 2.058101731654900e-5 2.083989464552217e-5 2.110202825043280e-5 2.136745909018997e-5 2.163622863890242e-5 2.190837889235893e-5 2.218395237459032e-5 2.246299214451385e-5 2.274554180266128e-5 2.303164549799153e-5 2.332134793478907e-5 2.361469437964908e-5 2.391173066855039e-5 2.421250321401746e-5 2.451705901237244e-5 2.482544565107843e-5 2.513771131617517e-5 2.545390479980814e-5 2.577407550785246e-5 2.609827346763263e-5 2.642654933573945e-5 2.675895440594523e-5 2.709554061721847e-5 2.743636056183945e-5 2.778146749361792e-5 2.813091533621409e-5 2.848475869156435e-5 2.884305284841286e-5 2.920585379095058e-5 2.957321820756291e-5 2.994520349968734e-5 3.032186779078258e-5 3.070326993541047e-5 3.108946952843205e-5 3.148052691431947e-5 3.187650319658485e-5 3.227746024732798e-5 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