From b149ebb52918a35151a127cd99b555c809473e90 Mon Sep 17 00:00:00 2001 From: "Haoyu (Daniel)" Date: Thu, 22 Aug 2024 15:37:17 +0800 Subject: [PATCH] revert a missing one --- src/pymatgen/phonon/dos.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/pymatgen/phonon/dos.py b/src/pymatgen/phonon/dos.py index 1f9bac115d1..cdef8c7dd36 100644 --- a/src/pymatgen/phonon/dos.py +++ b/src/pymatgen/phonon/dos.py @@ -462,7 +462,7 @@ def get_dos_fp( dos_rebin = np.zeros(freq.shape) - for ii, e1, e2 in zip(range(len(freq)), freq_bounds[:-1], freq_bounds[1:], strict=True): + for ii, e1, e2 in zip(range(len(freq)), freq_bounds[:-1], freq_bounds[1:], strict=False): inds = np.where((frequencies >= e1) & (frequencies < e2)) dos_rebin[ii] = np.sum(densities[inds]) if normalize: # scale DOS bins to make area under histogram equal 1