Posted by Ghazal on October 15, 2013 at 16:18:33:
In Reply to: Re: RASSCF Calculation Error (more details) posted by Valera Veryazov on October 15, 2013 at 15:46:36:
Thanks for your answer!
I don't think it is due to memory. Because for aug-cc-pvqz on Cl- I used 4GB memory and it was enough, but for aug-cc-pv5z I tried 10,20,30, and even 60 GB, and it didn't work, and I got the same error.
: how much memory did you use? If you increased the basis set, and code claims that there is a memory error - it would be a very first guess...
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