From 7308d2656ae23b0038f751f809b45939bfc392b0 Mon Sep 17 00:00:00 2001 From: "pre-commit-ci[bot]" <66853113+pre-commit-ci[bot]@users.noreply.github.com> Date: Tue, 12 Mar 2024 18:03:31 +0000 Subject: [PATCH] pre-commit auto-fixes --- custodian/vasp/handlers.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/custodian/vasp/handlers.py b/custodian/vasp/handlers.py index 2b63723b..ebf027ed 100644 --- a/custodian/vasp/handlers.py +++ b/custodian/vasp/handlers.py @@ -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