Dear NWCHEM users,
i want to make some CCSD/CCSD(T) optimizations using NWCHEM.
Due to limit restrictions the comp. stopped. I have two questions:
A) How can i visualize the current structure. As far as i can see no
coordinates, except the initial ones, are given.
B) How to restart the process from the last successfull opt. geometry?
Thanks in advance for any help.
Aggelos Avramopoylos