[CPMD-list] TDDFT question

Dong Xu dongxu at sciences.sdsu.edu
Sat Dec 9 01:01:32 CET 2006


Hi All,

I'm new to CPMD and I have 2 questions about DFT and TDDFT.

1. For DFT calculations, can I customize the percent contributions
from exchange and correlation functionals in a way similar to
Gaussian's IOPs ?

2. Does TDDFT support analytical gradients for geometry optimization?

Thanks,

-DX



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