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Hamiltonian
--
DFT+U
--- ACBN0IntersiteCutoff
--- ACBN0IntersiteInteraction
--- ACBN0RotationallyInvariant
--- ACBN0Screening
--- DFTUBasisFromStates
--- DFTUBasisStates
--- DFTUDoubleCounting
--- DFTUPoissonSolver
--- SkipSOrbitals
--- UseAllAtomicOrbitals
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DFTUBasisStates
DFTUBasisStates
Section Hamiltonian::DFT+U
Type block
Default none
This block starts by a line containing a single integer describing the number of
orbital sets. One orbital set is a group of orbitals on which one adds a Hubbard U.
Each following line of this block contains the index of a state to be used to construct the
localized basis, followed by the index of the corresponding orbital set.
See DFTUBasisFromStates for details.
Source information
hamiltonian/lda_u.F90 : 431
if ( parse_block ( namespace , 'DFTUBasisStates' , blk ) == 0 ) then