[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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