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Now the diagonalization is completely avoided before saving the data.
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Modules/Utilities.py

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -600,7 +600,7 @@ def CFP_SaveFrequencies(self, minim):
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# Generate the supercell in real space (Do it only if the frequency changes)
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if minim.minimizer.new_direction:
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w, pols = minim.dyn.DiagonalizeSupercell()
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w = minim.ensemble.current_w
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# Dyagonalize
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self.total_freqs.append(w)

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