[DFTB-Plus-User] triplet excitations
toufik esssakhri
tousak at hotmail.fr
Fri Feb 28 12:28:18 CET 2020
Dear all,
I want to run calculation for triplet excitations, here is the Casida block
Casida{
Symmetry = triplet
NrOfExcitations = 100
StateOfInterest = 1
WriteTransitions = Yes
WriteTransitionDipole = Yes
}
I got the following error:
-> The following 1 node(s) have been ignored by the parser:
(1)
Path: dftb_in/ExcitedState/Casida/Symmetry
Line: 38-38 (File: dftb_in.hsd)
PS: It works for triplet excitations
Regards,
Taoufik
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