Re: spin density for CI


[ Molcas user's WWWBoard ]

Posted by Valera Veryazov on May 03, 2011 at 14:39:43:

In Reply to: spin density for CI posted by I. Ioffe on May 03, 2011 at 14:08:59:

Hi Ilya,
Yes, it is possible. If you have any file in orbital format (RasOrb, RasOrb.1, etc.)
you can use this file as an INPORB in &grid_it program.

Best,
Valera



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 ]