Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 7May2018 Pseudopotential type: USPP Element: Pu Functional: PBE Suggested minimum cutoff for wavefunctions: 45. Ry Suggested minimum cutoff for charge density: 353. 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 6S 1 0 2.00 1.400 1.600 -3.877954 7S 2 0 2.00 1.400 1.600 -0.330168 6P 2 1 2.00 1.400 2.100 -2.455951 6P 2 1 4.00 1.400 2.100 -1.683623 6D 3 2 1.50 1.500 2.200 -0.206675 6D 3 2 0.00 1.500 2.200 -0.163817 5F 4 3 4.50 1.300 1.900 -0.500447 5F 4 3 0.00 1.300 1.900 -0.417192 Generation configuration: 6S 1 0 2.00 1.400 1.600 -3.877955 7S 2 0 2.00 1.400 1.600 -0.330172 6P 2 1 2.00 1.400 2.100 -2.455951 6P 2 1 4.00 1.400 2.100 -1.683620 7P 3 1 0.00 1.400 2.100 5.000000 7P 3 1 0.00 1.400 2.100 5.000000 6D 3 2 1.50 1.500 2.200 -0.206680 6D 3 2 0.00 1.500 2.200 -0.163815 6D 3 2 0.00 1.500 2.200 4.800000 6D 3 2 0.00 1.500 2.200 4.800000 5F 4 3 4.50 1.300 1.900 -0.500448 5F 4 3 0.00 1.300 1.900 -0.417189 5F 4 3 0.00 1.300 1.900 3.100000 5F 4 3 0.00 1.300 1.900 3.100000 Pseudization used: troullier-martins &input title='Pu', zed=94.0, rel=2, config='[Rn] 6d1.5 7s2.0 7p0. 5f4.5', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Pu.rel-pbe-spfn-rrkjus_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=2.1, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.5, tm=.true. / 8 6S 1 0 2.00 0.00 1.40 1.60 0.0 7S 2 0 2.00 0.00 1.40 1.60 0.0 6P 2 1 6.00 0.00 1.40 2.10 0.0 7P 3 1 0.00 5.00 1.40 2.10 0.0 6D 3 2 1.50 0.00 1.50 2.20 0.0 6D 3 2 0.00 4.80 1.50 2.20 0.0 5F 4 3 4.50 0.00 1.30 1.90 0.0 5F 4 3 0.00 3.10 1.30 1.90 0.0 9.700871973984215e-6 9.822893922010875e-6 9.946450717197683e-6 1.007156166554526e-5 1.019824631589383e-5 1.032652446297775e-5 1.045641615051850e-5 1.058794167435650e-5 1.072112158562245e-5 1.085597669394845e-5 1.099252807071954e-5 1.113079705236615e-5 1.127080524369798e-5 1.141257452127975e-5 1.155612703684955e-5 1.170148522077998e-5 1.184867178558301e-5 1.199770972945885e-5 1.214862233988944e-5 1.230143319727721e-5 1.245616617862952e-5 1.261284546128949e-5 1.277149552671384e-5 1.293214116429803e-5 1.309480747524980e-5 1.325951987651117e-5 1.342630410472994e-5 1.359518622028111e-5 1.376619261133881e-5 1.393934999799957e-5 1.411468543645736e-5 1.429222632323113e-5 1.447200039944568e-5 1.465403575516614e-5 1.483836083378723e-5 1.502500443647746e-5 1.521399572667952e-5 1.540536423466697e-5 1.559913986215855e-5 1.579535288699029e-5 1.599403396784651e-5 1.619521414905034e-5 1.639892486541436e-5 1.660519794715247e-5 1.681406562485337e-5 1.702556053451664e-5 1.723971572265220e-5 1.745656465144390e-5 1.767614120397802e-5 1.789847968953767e-5 1.812361484896355e-5 1.835158186008236e-5 1.858241634320340e-5 1.881615436668426e-5 1.905283245256670e-5 1.929248758228314e-5 1.953515720243518e-5 1.978087923064469e-5 2.002969206147849e-5 2.028163457244762e-5 2.053674613008201e-5 2.079506659608156e-5 2.105663633354464e-5 2.132149621327488e-5 2.158968762016738e-5 2.186125245967510e-5 2.213623316435670e-5 2.241467270050675e-5 2.269661457486923e-5 2.298210284143569e-5 2.327118210832857e-5 2.356389754477146e-5 2.386029488814684e-5 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