Recently, i'm calculating very huge molecules with dmol3
I need to calculate molecules with DNP numerical basis set level. But the scf convergence is very bad.
Therefore, first i will try to calculate with DN numerical basis set level, then i will try to calculate with DNP numberical basis set level with reading wavefunction of DN results
For doing this, how can i do in non-standard-alone mode??? Is there any way to do it??? or i need to do standard-alone mode calculation??
I really need you guys help ASAP
Sincerely
Sunwoo Kang
