Re: Dummy Atom


[ Molcas user's WWWBoard ]

Posted by Valera Veryazov on March 08, 2009 at 10:10:51:

In Reply to: Re: Dummy Atom posted by Roland Lindh on March 08, 2009 at 02:37:39:

: I have just tested the input for 7.2 and 7.3 and it works fine for both.

I recall that it WAS a problem with dummy atoms (due to a bug in input parsing in gateway). So, the first thing I would try - to update molcas (molcas getpatch -u).




Follow Ups:



Post a Followup

Name:
E-Mail:

Subject:

if B is 1s22s22p1, what is Li?

Passfield:

Comments:


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