Hi Ian, On 3/30/17 23:09, Ian Hinder wrote:
Hmm. That's a bit disappointing. In your original plot, I couldn't see any oscillations at all in the 8th order case, though I have seen them in my runs when plotting the frequency (which is yet another derivative). Can you see oscillations in psi4 itself in the 8th order case?
Yes, they are there in the 8th-order case, just much weaker than in the 4th-order case. See attached plot. Perhaps, understanding why lower order leads to worse oscillations can guide us to their root cause?
Best, - Christian
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