Posted by Dmitry Vlasenko on April 18, 2016 at 14:37:14:
In Reply to: Re: How to specify occupation numbers for alpha and beta spin in SCF calculations posted by Nhan on July 15, 2015 at 16:12:57:
: Thanks to my friend Alex, the problem is solved.
Hello! Could you please tell me how to run the UHF with specified OCCNumbers.
Thanks