[DFTB-Plus-User] LRC option for triplet states

Anant Khanna anantachandra173 at gmail.com
Tue Jul 6 16:10:13 CEST 2021


Hello,

I was wondering if there were any additional options required for the
'dftb_in.hsd' input file to successfully run triplet states with long-range
corrected function.

I am getting the following error message: "Invalid symmetry value 'Triplet'
(only 'Singlet' for LC-DFTB)."

Many thanks,
Anant
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