Generated using "atomic" code by A. Dal Corso v.6.3 Author: ADC Generation date: 6Sep2018 Pseudopotential type: PAW Element: Ga Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 44. Ry Suggested minimum cutoff for charge density: 240. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 1.9000 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 4S 1 0 2.00 1.300 2.200 -0.655102 4P 2 1 1.00 1.300 2.200 -0.192172 4P 2 1 0.00 1.300 2.200 -0.183527 3D 3 2 4.00 1.300 1.700 -1.423218 3D 3 2 6.00 1.300 1.700 -1.389274 Generation configuration: 4S 1 0 2.00 1.300 2.200 -0.655100 4S 1 0 0.00 1.300 2.200 6.100000 4P 2 1 1.00 1.300 2.200 -0.192173 4P 2 1 0.00 1.300 2.200 -0.183525 4P 2 1 0.00 1.300 2.200 6.300000 4P 2 1 0.00 1.300 2.200 6.300000 3D 3 2 4.00 1.300 1.700 -1.423215 3D 3 2 6.00 1.300 1.700 -1.389271 3D 3 2 0.00 1.300 1.700 -1.300000 3D 3 2 0.00 1.300 1.700 -1.300000 Pseudization used: troullier-martins &input title='Ga', zed=31., rel=2, config='[Ar] 4s2 4p1 3d10', iswitch=3, dft='PBESOL' / &inputp lpaw = .true., use_xsd=.FALSE., pseudotype=3, file_pseudopw='Ga.rel-pbesol-dnl-kjpaw_psl.1.0.0.UPF', author='ADC', lloc=-1, rcloc=1.9, which_augfun='PSQ', rmatch_augfun_nc=.true., nlcc=.true., new_core_ps=.true., rcore=1.1, tm=.true. / 6 4S 1 0 2.00 0.00 1.30 2.20 0.0 4S 1 0 0.00 6.10 1.30 2.20 0.0 4P 2 1 1.00 0.00 1.30 2.20 0.0 4P 2 1 0.00 6.30 1.30 2.20 0.0 3D 3 2 10.00 0.00 1.30 1.70 0.0 3D 3 2 0.00 -1.30 1.30 1.70 0.0 2.941554727595213e-5 2.978554931190394e-5 3.016020540053491e-5 3.053957408262109e-5 3.092371463529096e-5 3.131268708128738e-5 3.170655219834640e-5 3.210537152869391e-5 3.250920738866163e-5 3.291812287842434e-5 3.333218189185926e-5 3.375144912652963e-5 3.417599009379387e-5 3.460587112904183e-5 3.504115940205994e-5 3.548192292752639e-5 3.592823057563881e-5 3.638015208287524e-5 3.683775806289057e-5 3.730112001755025e-5 3.777031034810240e-5 3.824540236649073e-5 3.872647030680971e-5 3.921358933690370e-5 3.970683557011228e-5 4.020628607716289e-5 4.071201889821337e-5 4.122411305504595e-5 4.174264856341445e-5 4.226770644554710e-5 4.279936874280617e-5 4.333771852850732e-5 4.388283992089980e-5 4.443481809631023e-5 4.499373930245157e-5 4.555969087189940e-5 4.613276123573788e-5 4.671303993737728e-5 4.730061764654526e-5 4.789558617345441e-5 4.849803848314750e-5 4.910806871002359e-5 4.972577217254678e-5 5.035124538813975e-5 5.098458608826507e-5 5.162589323369562e-5 5.227526702997763e-5 5.293280894308793e-5 5.359862171528818e-5 5.427280938117875e-5 5.495547728395400e-5 5.564673209186266e-5 5.634668181487483e-5 5.705543582155873e-5 5.777310485617000e-5 5.849980105595534e-5 5.923563796867443e-5 5.998073057034197e-5 6.073519528319283e-5 6.149914999387343e-5 6.227271407186159e-5 6.305600838811830e-5 6.384915533397408e-5 6.465227884025287e-5 6.546550439663657e-5 6.628895907127287e-5 6.712277153062997e-5 6.796707205960111e-5 6.882199258186155e-5 6.968766668048239e-5 7.056422961880275e-5 7.145181836156506e-5 7.235057159631624e-5 7.326062975507765e-5 7.418213503628825e-5 7.511523142702302e-5 7.606006472549138e-5 7.701678256381850e-5 7.798553443111301e-5 7.896647169682527e-5 7.995974763439866e-5 8.096551744521930e-5 8.198393828286639e-5 8.301516927766775e-5 8.405937156156446e-5 8.511670829328779e-5 8.618734468385325e-5 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