aiidalab / aiidalab/aiidalab-qe-wannier90
Avoid running full grid of Wannierizations
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描述
At the moment, often a full grid of W90 calculations is started.
- Check with Junfeng if this happens always, or only when band distance is too high. It should *not* be ran always, only if needed
- Possibly put it as a checkbox ("Run full grid search of PDWF parameters if band distance is too high"), so users can decide not to do it
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