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Question on various recommended thresholds for SA-MCSCF gradient calculations

GrEv
grevgen13@gmail.com


Hello,

In the case of SA-MCSCF gradient calculations, there are various recommended more tight thresholds in the manual (p. 144), namely INTTYP, ICUT, ITOL, CUTTRF, CUTOFF and CVGTOL. I wonder:
1) Which of them are most crucial?
2) How they would affect the computation time?
3) What should be expected if they are left by default?

I noticed some inconsistency in the manual, p. 179, input example 3, concerning the above thresholds. In the example, $GUGEM CUTOFF=1D-12, $GUGDM2 CUTOFF=1D-12, while the recommended values are 1.0D-20 and 1.0D-15, respectively. Are these thresholds system dependent?

Many thanks!


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