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DanielYang59 committed Aug 22, 2024

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DanielYang59 Haoyu (Daniel) YANG
1 parent 89dc247 commit b149ebb
Showing 1 changed file with 1 addition and 1 deletion.
2 changes: 1 addition & 1 deletion src/pymatgen/phonon/dos.py
Original file line number Diff line number Diff line change
@@ -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

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