[DFTB-Plus-User] Any tips to speed up excited state optimization...

[siddheshwar chopra]

Dear All,
I noticed a drastic slowdown in excited state optimization, as compared to
the ground state one. Any suggestions on how to speed up these
calculations? I am trying MaxForceComponent [eV/AA]= 1.0e-5  for the ground
state and MaxForceComponent [eV/AA]= 1.0e-4 for the excited state. Also, I
am getting the emission spectra immediately after this optimization. Is it
fine?


Regards,

-- 
*Dr. Siddheshwar chopra,*


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