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Hamiltonian
--
DFT+U
--- ACBN0IntersiteCutoff
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--- ACBN0RotationallyInvariant
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--- UseAllAtomicOrbitals
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UseAllAtomicOrbitals
UseAllAtomicOrbitals
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. Only available with ACBN0 functional.
It is strongly recommended to set AOLoewdin=yes when using the option.
Source information
hamiltonian/lda_u.F90 : 305
call parse_variable ( namespace , 'UseAllAtomicOrbitals' , . false ., this % useAllOrbitals )