Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Be Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 33. Ry Suggested minimum cutoff for charge density: 132. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 0.9000 Pseudopotential contains additional information for spin-orbit calculations. Pseudopotential contains additional information for GIPAW reconstruction. Valence configuration: nl pn l occ Rcut Rcut US E pseu 2S 1 0 2.00 1.400 1.800 -0.407417 2P 2 1 0.00 1.700 1.800 -0.144702 2P 2 1 0.00 1.700 1.800 -0.144646 Generation configuration: 2S 1 0 2.00 1.400 1.800 -0.407416 2S 2 0 0.00 1.400 1.800 6.500000 2P 2 1 0.00 1.700 1.800 -0.144705 2P 2 1 0.00 1.700 1.800 -0.144645 2P 2 1 0.00 1.700 1.800 6.300000 2P 2 1 0.00 1.700 1.800 6.300000 Pseudization used: troullier-martins &input title='Be', zed=4., rel=2, config='[He] 2s2 2p0', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Be.rel-pbesol-n-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=0.9, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.2, tm=.true. / 4 2S 1 0 2.00 0.00 1.40 1.80 0.0 2S 2 0 0.00 6.50 1.40 1.80 0.0 2P 2 1 0.00 0.00 1.70 1.80 0.0 2P 2 1 0.00 6.30 1.70 1.80 0.0 2.279704913886290e-4 2.308380071672556e-4 2.337415918541455e-4 2.366816991403135e-4 2.396587884235050e-4 2.426733248799772e-4 2.457257795371846e-4 2.488166293473778e-4 2.519463572621276e-4 2.551154523077886e-4 2.583244096619093e-4 2.615737307306047e-4 2.648639232269026e-4 2.681955012500742e-4 2.715689853659645e-4 2.749849026883296e-4 2.784437869612008e-4 2.819461786422831e-4 2.854926249874019e-4 2.890836801360144e-4 2.927199051977936e-4 2.964018683403032e-4 3.001301448777752e-4 3.039053173610037e-4 3.077279756683702e-4 3.115987170980124e-4 3.155181464611536e-4 3.194868761766060e-4 3.235055263664620e-4 3.275747249529900e-4 3.316951077567479e-4 3.358673185959317e-4 3.400920093869734e-4 3.443698402464042e-4 3.487014795939997e-4 3.530876042572204e-4 3.575288995769686e-4 3.620260595146739e-4 3.665797867607258e-4 3.711907928442717e-4 3.758597982443931e-4 3.805875325026829e-4 3.853747343372376e-4 3.902221517580831e-4 3.951305421840543e-4 4.001006725611411e-4 4.051333194823266e-4 4.102292693089316e-4 4.153893182934834e-4 4.206142727041353e-4 4.259049489506435e-4 4.312621737119356e-4 4.366867840652800e-4 4.421796276170801e-4 4.477415626353174e-4 4.533734581836538e-4 4.590761942572268e-4 4.648506619201503e-4 4.706977634447443e-4 4.766184124525191e-4 4.826135340569273e-4 4.886840650079168e-4 4.948309538382992e-4 5.010551610119597e-4 5.073576590739335e-4 5.137394328023647e-4 5.202014793623824e-4 5.267448084619085e-4 5.333704425094270e-4 5.400794167737386e-4 5.468727795457213e-4 5.537515923021292e-4 5.607169298714508e-4 5.677698806018518e-4 5.749115465312340e-4 5.821430435594285e-4 5.894655016225582e-4 5.968800648695933e-4 6.043878918411258e-4 6.119901556503958e-4 6.196880441665897e-4 6.274827602004497e-4 6.353755216922147e-4 6.433675619019249e-4 6.514601296021246e-4 6.596544892729804e-4 6.679519212998626e-4 6.763537221734067e-4 6.848612046920922e-4 6.934756981673722e-4 7.021985486313782e-4 7.110311190472418e-4 7.199747895220606e-4 7.290309575225419e-4 7.382010380933616e-4 7.474864640782649e-4 7.568886863439538e-4 7.664091740067858e-4 7.760494146623271e-4 7.858109146177950e-4 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