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pre-commit auto-fixes
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pre-commit-ci[bot] committed Mar 12, 2024
1 parent 7d1944f commit 7308d26
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion custodian/vasp/handlers.py
Original file line number Diff line number Diff line change
Expand Up @@ -687,7 +687,7 @@ def correct(self, directory="./"):
nelect = None # dummy value
if nelect and nbands > 2 * nelect:
nions = len(vi["POSCAR"].structure)
default_nbands = round(max([nelect/2+nions/2, nelect*0.6]))
default_nbands = round(max([nelect / 2 + nions / 2, nelect * 0.6]))
actions.append({"dict": "INCAR", "action": {"_set": {"NBANDS": default_nbands}}})
self.error_count["auto_nbands"] += 1

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