[DFTB-Plus-User] Excited state optimization issue.

[siddheshwar chopra]

Dear Balint,
I am trying to optimize the lowest excited state, using the ground state
optimized geometry. But I am always getting "SCC not converged" error. I
want to restart the optimization, but it gives error: parsing error...
Can we not add "ReadInitialCharges=Yes, and MaxSCCIterations=2000" to
Hamiltonian section for excited state optimization? Please suggest what to
do.
I am currently calling "geom.out.gen" on every run..Is it correct? But
still no solution.

Regards,

-- 
*Dr. Siddheshwar chopra,*


*M.Sc., Ph.D (Physics)Assistant Professor (Physics),*
*Amity University, Noida, India.*
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