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#1 2016-02-19 13:37:06
- tn05mo4
- Member
- Registered: 2016-02-18
- Posts: 1
counterpoise calculation
Dear Molcas Team,
I wonder what can be done to improve the convergence for a counterpoise calculation in Molcas.
I'm running a dimer calculation at the HF/CC-PVDZ level of theory and the calculations runs fine,
except for the monomer calculations employing the bsse=1 keyword, upon which
convergence is not reached. What can be done to improve the convergence?
Please advice.
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