Re: CASPT2 iterations

[ Molcas user's WWWBoard ]

Posted by Roser on March 11, 2015 at 15:34:38:

In Reply to: CASPT2 iterations posted by Roser on March 11, 2015 at 15:32:50:

: Hello,

: I am doing CASPT2 calculations and I had a problem with the convergence.
: I read the Molcas manual, but I don't understand what these iterations are.

: I wrote two times on this board and I didn't see later my message. What is happening?

---OK Now I can see the messages. SORRY!

: Thank you

Follow Ups:

Post a Followup



if B is 1s22s22p1, what is Li?



[ Follow Ups ] [ Post Followup ] [ Molcas user's WWWBoard ]