[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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