Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9415 Author: ADC Generation date: 11Sep2012 Pseudopotential type: PAW Element: Ga Functional: SLA PW PSX PSC Suggested minimum cutoff for wavefunctions: 33. Ry Suggested minimum cutoff for charge density: 134. Ry The Pseudo was generated with a Fully-Relativistic Calculation Local Potential by smoothing AE potential with Bessel fncs, cutoff radius: 2.0000 Pseudopotential contains additional information for spin-orbit calculations. Valence configuration: nl pn l occ Rcut Rcut US E pseu 4S 1 0 2.00 1.800 2.000 -0.655103 4P 2 1 1.00 2.300 2.500 -0.192172 4P 2 1 0.00 2.300 2.500 -0.183526 3D 3 2 4.00 1.600 1.900 -1.423217 3D 3 2 6.00 1.600 1.900 -1.389273 Generation configuration: 4S 1 0 2.00 1.800 2.000 -0.655100 4S 1 0 0.00 1.800 2.000 3.100000 4P 2 1 1.00 2.300 2.500 -0.192173 4P 2 1 0.00 2.300 2.500 -0.183525 4P 2 1 0.00 2.300 2.500 6.300000 4P 2 1 0.00 2.300 2.500 6.300000 3D 3 2 4.00 1.600 1.900 -1.423215 3D 3 2 6.00 1.600 1.900 -1.389271 3D 3 2 0.00 1.600 1.900 1.300000 3D 3 2 0.00 1.600 1.900 1.300000 Pseudization used: troullier-martins title='Ga', zed=31., rel=2, config='[Ar] 3d10.0 4s2.0 4p1.0', iswitch=3, dft='PBESOL' / &inputp lpaw=.true., pseudotype=3, file_pseudopw='Ga.rel-pbesol-dn-kjpaw_psl.0.2.UPF', author='ADC', lloc=-1, rcloc=2.0, which_augfun='BESSEL', rmatch_augfun=1.9, nlcc=.true., new_core_ps=.true., rcore=1.0, tm=.true. / 6 4S 1 0 2.00 0.00 1.80 2.00 0.0 4S 1 0 0.00 3.10 1.80 2.00 0.0 4P 2 1 1.00 0.00 2.30 2.50 0.0 4P 2 1 0.00 6.30 2.30 2.50 0.0 3D 3 2 10.00 0.00 1.60 1.90 0.0 3D 3 2 0.00 1.30 1.60 1.90 0.0 2.941554727595214E-005 2.978554931190394E-005 3.016020540053491E-005 3.053957408262109E-005 3.092371463529096E-005 3.131268708128738E-005 3.170655219834641E-005 3.210537152869391E-005 3.250920738866163E-005 3.291812287842434E-005 3.333218189185926E-005 3.375144912652963E-005 3.417599009379387E-005 3.460587112904183E-005 3.504115940205993E-005 3.548192292752640E-005 3.592823057563882E-005 3.638015208287524E-005 3.683775806289056E-005 3.730112001755025E-005 3.777031034810240E-005 3.824540236649074E-005 3.872647030680971E-005 3.921358933690370E-005 3.970683557011229E-005 4.020628607716289E-005 4.071201889821337E-005 4.122411305504595E-005 4.174264856341445E-005 4.226770644554710E-005 4.279936874280617E-005 4.333771852850732E-005 4.388283992089980E-005 4.443481809631023E-005 4.499373930245157E-005 4.555969087189940E-005 4.613276123573788E-005 4.671303993737728E-005 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