Generated using "atomic" code by A. Dal Corso v.6.2.2 Author: ADC Generation date: 4May2018 Pseudopotential type: USPP Element: Tm Functional: PBE Suggested minimum cutoff for wavefunctions: 38. Ry Suggested minimum cutoff for charge density: 316. Ry The Pseudo was generated with a Scalar-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.1000 Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 5S 1 0 2.00 1.100 1.600 -4.291405 6S 2 0 1.50 1.100 1.600 -0.361420 5P 2 1 6.00 1.100 1.700 -2.286436 6P 3 1 0.50 1.100 1.700 -0.122258 5D 3 2 1.00 1.100 2.000 -0.185743 Generation configuration: 5S 1 0 2.00 1.100 1.600 -4.291452 6S 2 0 1.50 1.100 1.600 -0.361427 5P 2 1 6.00 1.100 1.700 -2.286472 6P 3 1 0.50 1.100 1.700 -0.122261 5D 3 2 1.00 1.100 2.000 -0.185759 5D 3 2 0.00 1.100 2.000 2.000000 Pseudization used: troullier-martins &input title='Tm', zed=69.0, rel=1, config='[Xe] 4f12 5d1.0 6s1.5 6p0.5', iswitch=3, dft='PBE' / &inputp lpaw=.false., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Tm.pbe-spdn-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=1.1, tm=.true. / 6 5S 1 0 2.00 0.00 1.10 1.60 0.0 6S 2 0 1.50 0.00 1.10 1.60 0.0 5P 2 1 6.00 0.00 1.10 1.70 0.0 6P 3 1 0.50 0.00 1.10 1.70 0.0 5D 3 2 1.00 0.00 1.10 2.00 0.0 5D 3 2 0.00 2.00 1.10 2.00 0.0 1.321568066021038e-5 1.338191345897134e-5 1.355023720893598e-5 1.372067821103267e-5 1.389326309701478e-5 1.406801883362187e-5 1.424497272679331e-5 1.442415242593494e-5 1.460558592823928e-5 1.478930158306021e-5 1.497532809634257e-5 1.516369453510751e-5 1.535443033199435e-5 1.554756528985938e-5 1.574312958643272e-5 1.594115377903360e-5 1.614166880934498e-5 1.634470600824829e-5 1.655029710071895e-5 1.675847421078345e-5 1.696926986653876e-5 1.718271700523497e-5 1.739884897842176e-5 1.761769955715964e-5 1.783930293729683e-5 1.806369374481231e-5 1.829090704122630e-5 1.852097832907862e-5 1.875394355747606e-5 1.898983912770956e-5 1.922870189894190e-5 1.947056919396706e-5 1.971547880504194e-5 1.996346899979155e-5 2.021457852718839e-5 2.046884662360698e-5 2.072631301895470e-5 2.098701794287964e-5 2.125100213105657e-5 2.151830683155199e-5 2.178897381126917e-5 2.206304536247437e-5 2.234056430940508e-5 2.262157401496134e-5 2.290611838748140e-5 2.319424188760238e-5 2.348598953520734e-5 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