iOpenShell » Q-Chem specific questions » how to set cam-b3lyp manually

how to set cam-b3lyp manually

Page: 1

Author Post
Member
Registered: Jan 2017
Posts: 1
Dear all,

I want to know how to set cam-b3lyp manually by using "exchange = gen".

Best regards.
Administrator
Registered: Apr 2013
Posts: 3
Do you really need it that complicated? This functional is popular enough to be already pre-setup in Q-Chem, and it can be invoked by simply using
exchange = CAM-B3LYP
in $rem section. The manual also suggests that setting new $rem variable
method = CAM-B3LYP
works, too.

Page: 1

iOpenShell » Q-Chem specific questions » how to set cam-b3lyp manually