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as shown, drho will not decrease. I have already checked methods from other issues, like lower smearing_sigma, mixing_beta or change mixing_type, but no one worked. And tried to change STRU make atom moveable or not. End up all like this (where drho will not decrease)
here are log and INPUT (normalized)
Activity
Lonya0 commentedon Mar 12, 2026
abacus version is 3.10.0
Lonya0 commentedon Mar 13, 2026
testing pbe will also get this problem, there should be some wrong with install
[-]hse simulation where drho will not decrease[/-][+]HSE simulation where drho will not decrease[/+]mohanchen commentedon Mar 21, 2026
Thanks! @PeizeLin could you take a look?
mohanchen commentedon Sep 25, 2026
Since the LCAO-HSE developers are not active in the issue area, I will transfer such issues to discussion.