This is a feature that has not been implemented in the RODFT yet. This will be made available in our next release.
Bert
Quote:Himadride Oct 18th 7:11 amThank you for the reply. It definitely works with the closed shell systems. My system is open shell and I use RODFT module accompanied by cgmin solver. Can you please let me know about it, whether with RODFT open shell systems too similar keywords are valid? Thanks in advance. |