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Hamiltonian
--
DFT+U
--- ACBN0IntersiteCutoff
--- ACBN0IntersiteInteraction
--- ACBN0RotationallyInvariant
--- ACBN0Screening
--- DFTUBasisFromStates
--- DFTUBasisStates
--- DFTUDoubleCounting
--- DFTUPoissonSolver
--- SkipSOrbitals
--- UseAllAtomicOrbitals
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SkipSOrbitals
SkipSOrbitals
Section Hamiltonian::DFT+U
Type logical
Default no
If set to yes, Octopus will determine the effective U for all atomic orbitals
from the peusopotential but s orbitals. Only available with ACBN0 functional.
Source information
hamiltonian/lda_u.F90 : 296
call parse_variable ( namespace , 'SkipSOrbitals' , . true ., this % skipSOrbitals )