COOP calculation
Posted: Tue Nov 14, 2006 5:28 am
Hi,
I noticed that there are many questions on how to do COOP (crystal orbital overlap population) calculations. But there seems not satisfied answers to this. Anybody know if there are any ready script to do that? Thank you in advance.
I noticed that there are many questions on how to do COOP (crystal orbital overlap population) calculations. But there seems not satisfied answers to this. Anybody know if there are any ready script to do that? Thank you in advance.