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lines changed Original file line number Diff line number Diff line change @@ -558,7 +558,7 @@ def get_builder_from_protocol(
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# MBO: I do not understand why I have to do this, but it works
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builder .phonon = builder_phonon
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- builder .phonon .symmetry = overrides ["symmetry" ]
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+ builder .phonon .symmetry = orm . Float ( overrides ["symmetry" ])
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# Adding the bands and pdos inputs.
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if structure .pbc != (True , True , True ):
@@ -732,7 +732,10 @@ def vibrate(self):
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def should_run_phonopy (self ):
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# Final phonopy is needed for modes 1 and 3;
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# namely, we compute bands, pdos and thermo.
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- return "phonopy_bands_dict" in self .inputs
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+ return (
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+ "phonopy_bands_dict" in self .inputs
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+ and self .ctx [self .ctx .key ].is_finished_ok
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+ )
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def run_phonopy (self ):
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"""Run three `PhonopyCalculation` to get (after the calculations of force constants) bands, pdos, thermodynamic quantities."""
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