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&TDDFT $ \ldots$ &END


DAVIDSON PARAMETER

DAVIDSON RDIIS

DIAGONALIZER {DAVIDSON,NONHERMIT,PCG} [MINIMIZE]

FORCE STATE

LOCALIZATION

MOLECULAR STATES

LR-TDDFT

PCG PARAMETER

PROPERTY { STATE }

RANDOMIZE

REORDER

REORDER LOCAL

ROTATION PARAMETER

STATES [MIXED,SINGLET,TRIPLET]

TAMM-DANCOFF [SUBSPACE,OPTIMIZE]

TD_METHOD_A [ functionals ]




2006-03-29 cpmd@cpmd.org