[DFTB-Plus-User] Fractionally occupied states not currently supported for range separated linear response excitations
toufik esssakhri
tousak at hotmail.fr
Mon Nov 9 13:57:55 CET 2020
Dear all,
I am calculating excited states including rang separated hybrid functional. But I am getting the following error:
"Fractionally occupied states not currently supported for range separated linear response excitations"
-----------------
#### LC part
RangeSeparated = LC {
Screening=MatrixBased{}
}
# Excited states
ExcitedState {
Casida {
NrOfExcitations = 100
StateOfInterest = -1
Symmetry = Singlet
WriteTransitions = Yes
WriteTransitionDipole = Yes
}
}
Could you help with this isuue
thank you
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