Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Li Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 50. Ry Suggested minimum cutoff for charge density: 323. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.0000 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 1S 1 0 2.00 0.800 1.550 -3.775809 2S 2 0 1.00 0.800 1.550 -0.207407 2P 2 1 0.00 0.850 2.000 -0.077588 2P 2 1 0.00 0.850 2.000 -0.077581 Generation configuration: 1S 1 0 2.00 0.800 1.550 -3.775811 2S 2 0 1.00 0.800 1.550 -0.207407 2P 2 1 0.00 0.850 2.000 -0.077589 2P 2 1 0.00 0.850 2.000 -0.077580 2P 2 1 0.00 0.850 2.000 1.000000 2P 2 1 0.00 0.850 2.000 1.000000 Pseudization used: troullier-martins &input title='Li', zed=3., rel=2, config='[He] 2s1 2p0', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Li.rel-pbesol-sl-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.0, which_augfun='PSQ', rmatch_augfun_nc=.true., tm=.true. / 4 1S 1 0 2.00 0.00 0.80 1.55 0.0 2S 2 0 1.00 0.00 0.80 1.55 0.0 2P 2 1 0.00 0.00 0.85 2.00 0.0 2P 2 1 0.00 1.00 0.85 2.00 0.0 3.039606551848387e-4 3.077840095563408e-4 3.116554558055273e-4 3.155755988537513e-4 3.195450512313400e-4 3.235644331733030e-4 3.276343727162462e-4 3.317555057965038e-4 3.359284763495035e-4 3.401539364103849e-4 3.444325462158790e-4 3.487649743074729e-4 3.531518976358700e-4 3.575940016667656e-4 3.620919804879526e-4 3.666465369177728e-4 3.712583826149344e-4 3.759282381897108e-4 3.806568333165358e-4 3.854449068480193e-4 3.902932069303915e-4 3.952024911204043e-4 4.001735265037003e-4 4.052070898146716e-4 4.103039675578270e-4 4.154649561306831e-4 4.206908619482048e-4 4.259825015688081e-4 4.313407018219493e-4 4.367662999373200e-4 4.422601436756639e-4 4.478230914612423e-4 4.534560125159646e-4 4.591597869952057e-4 4.649353061253329e-4 4.707834723429605e-4 4.767051994359582e-4 4.827014126862318e-4 4.887730490143010e-4 4.949210571256955e-4 5.011463976591908e-4 5.074500433369106e-4 5.138329791163168e-4 5.202962023441107e-4 5.268407229120724e-4 5.334675634148548e-4 5.401777593097689e-4 5.469723590785753e-4 5.538524243913113e-4 5.608190302721805e-4 5.678732652675246e-4 5.750162316159141e-4 5.822490454203733e-4 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