added flags to specify that band structure and dos are vibrational

parser/parser-phonopy/Get_Force_Constants.py

@@ -49,7 +49,6 @@ 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)

parser/parser-phonopy/PhononModulesNomad.py

@@ -313,6 +313,7 @@ class Get_Properties():
 
         #### emitting frequencies
         skBand = Emit.openSection("section_k_band")
+        Emit.addValue("band_structure_kind", "vibrational")
         for i in range(len(freqs)):
             freq = np.expand_dims(freqs[i], axis = 0)
             skBands = Emit.openSection("section_k_band_segment")
@@ -345,6 +346,7 @@ class Get_Properties():
 
         #### emitting density of states
         sDos = Emit.openSection("section_dos")
+        Emit.addValue("dos_kind", "vibrational")
         Emit.addArrayValues("dos_values", dos)
         Emit.addArrayValues("dos_energies", f)
         Emit.closeSection("section_dos", sDos)