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Hamiltonian
--
DFT+U
--- ACBN0IntersiteCutoff
--- ACBN0IntersiteInteraction
--- ACBN0RotationallyInvariant
--- ACBN0Screening
--- DFTUBasisFromStates
--- DFTUBasisStates
--- DFTUDoubleCounting
--- DFTUPoissonSolver
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ACBN0Screening
ACBN0Screening
Section Hamiltonian::DFT+U
Type float
Default 1.0
If set to 0, no screening will be included in the ACBN0 functional, and the U
will be estimated from bare Hartree-Fock. If set to 1 (default), the full screening
of the U, as defined in the ACBN0 functional, is used.
Source information
hamiltonian/lda_u.F90 : 304
call parse_variable ( namespace , 'ACBN0Screening' , M_ONE , this % acbn0_screening )