Search found 2 matches

by Seva
27 Nov 2017, 21:17
Forum: Running Dalton
Topic: MCSCF Electronic g-tensor calculation
Replies: 2
Views: 2324

Re: MCSCF Electronic g-tensor calculation

Dear Kenneth,

It helped indeed. Now the calculation runs to completion.

Thank you very much!

Seva
by Seva
26 Nov 2017, 20:01
Forum: Running Dalton
Topic: MCSCF Electronic g-tensor calculation
Replies: 2
Views: 2324

MCSCF Electronic g-tensor calculation

Dear Dalton Community, I recently got a problem running the MCSCF Electronic g-tensor calculation for my RbH2 radical. The calculation terminates with the following error: ERROR (GPOPEN) TRYING TO OPEN A NON-EXISTING OLD FILE. I made the same calculation using HF and got no problem. As well, no prob...