Commit bb0a0839 authored by Hagen-Henrik Kowalski's avatar Hagen-Henrik Kowalski
Browse files

Added calculation_method_kind to identify band structure etc. as vibrational

parent 8c60b3d8
Pipeline #8952 passed with stage
in 6 minutes and 11 seconds
......@@ -49,6 +49,7 @@ def parse(name):
Parse.addValue("x_phonopy_original_system_ref", Basesystem)
Parse.closeSection("section_system", Supercellsystem)
method = Parse.openSection("section_method")
Parse.addValue("calculation_method_kind", "phononic")
Parse.addValue("x_phonopy_symprec", sym)
Parse.addValue("x_phonopy_displacement", displacement)
Parse.closeSection("section_method", method)
......
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