Dear Siddheshwar for dealing with molecules , i suggest gaussian code g09 .
for the optical properties , espresso is very weak and i suggest again gaussian g09 or wien2k . -- Best wishes Ashkan Shekaari
Dear Siddheshwar for dealing with molecules , i suggest gaussian code g09 .
for the optical properties , espresso is very weak and i suggest again gaussian g09 or wien2k . -- Best wishes Ashkan Shekaari