Comments (2)
utf
commented on June 12, 2024
Hi @arosen93. This idea of carrying over settings from the previous INCAR was taken over from atomate1 but I see that this gives unexpected results.
A couple of points:
- This appears to be fixed in VASP 6+ as I can't reproduce this behaviour (my vaspruns don't contain
KPOINT_BSEfor example). - I think preferentially using the INCAR makes sense and would be easy enough to implement but I'm not sure it is a major issue, as VASP appears to be promoting the default for these values.
If you'd like to fix, then it should be as simple as adjusting the line you linked to.
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Andrew-S-Rosen
commented on June 12, 2024
Ah, I see! I think it's fixed in VASP 6+ as well. I'll close this then -- no need to fix what's not broken :)
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