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n symmetry of fc3 and fc4

This commit is contained in:
Atsushi Togo 2013-09-03 15:41:20 +09:00
parent 00ac856b22
commit 23a7d08b42
1 changed files with 6 additions and 4 deletions
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10
anharmonic/phonon3/imag_self_energy.py
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@ -74,7 +74,7 @@ class ImagSelfEnergy:
if self._cutoff_frequency is None:
return self._imag_self_energy
else: # Averaging imag-self-energies by degenerate bands
imag_se = self._imag_self_energy
imag_se = np.zeros_like(self._imag_self_energy)
freqs = self._frequencies[self._grid_point]
deg_sets = degenerate_sets(freqs) # such like [[0,1], [2], [3,4,5]]
for dset in deg_sets:
@ -85,10 +85,12 @@ class ImagSelfEnergy:
if len(bi_set) > 0:
for i in bi_set:
if self._fpoints is None:
imag_se[i] = imag_se[bi_set].sum() / len(bi_set)
imag_se[i] = (self._imag_self_energy[bi_set].sum() /
len(bi_set))
else:
imag_se[:, i] = (imag_se[:, bi_set].sum(axis=1) /
len(bi_set))
imag_se[:, i] = (
self._imag_self_energy[:, bi_set].sum(axis=1) /
len(bi_set))
return imag_se