Assyst stability #159
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Assyst stability #159
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and do not filter if no min_dist given
In the VolMin step it would never be fullfilled as atoms cannot move.
IBRION=2 seems to be more stable than 1 for our "strange" structures. Lower POTIM also helps that minimizer steps do not jump to strange places on high forces/stresses.
Before DFT calculations we do it anyway and allowing them during VolMin gives AllMin a chance to fix some of them.
Insufficients NBANDS is the biggest fix we apply. Can be improved by allowing empty states per atom, but needs support from atomistics.
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Clears up min_dist handling some more and fixes smaller problems.