Re: SCF restart

[ Molcas user's WWWBoard ]

Posted by Roland Lindh on November 20, 2000 at 17:45:58:

In Reply to: SCF restart posted by Fredrik Blomgren on November 17, 2000 at 17:52:46:

Dear Fredrik,
to be honest I simply believe that there is a bug. You always report this to us on the user's web pages.
If you simply are interested in continuing the calculation simply start the calculation
again with the old MO's as input.


Follow Ups:

Post a Followup




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