Re: Missing orbitals in RASSCF output file


[ Molcas user's WWWBoard ]

Posted by Julien Lejeune on June 17, 2010 at 11:20:18:

In Reply to: Re: Missing orbitals in RASSCF output file posted by Valera Veryazov on June 16, 2010 at 16:47:58:

: Hi,

: : I noticed some odd issue I cannot fix: in some of my RASSCF calculations, there are 'missing' orbitals in the output file, like this for instance:

: this is a bug which was fixed in the current molcas code.
: If you have a valid license for Molcas 7, you can get Molcas 7.4 free of charge.

: /Valera

Thanks for this answer.
Regards,

Julien.


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 ]