diff --git a/meta_info/nomad_meta_info/quasi-harmonic-properties.json b/meta_info/nomad_meta_info/quasi-harmonic-properties.nomadmetainfo.json similarity index 57% rename from meta_info/nomad_meta_info/quasi-harmonic-properties.json rename to meta_info/nomad_meta_info/quasi-harmonic-properties.nomadmetainfo.json index c0067fc9a772b8107d48b4cbb23ec936d36ce38d..e0424bfe5a3d59e389e7a6350347673612acd8db 100644 --- a/meta_info/nomad_meta_info/quasi-harmonic-properties.json +++ b/meta_info/nomad_meta_info/quasi-harmonic-properties.nomadmetainfo.json @@ -16,6 +16,30 @@ ], "units": "J" }, + { + "description": "Holds the temperature dependent volume calculated using the quasi harmonic approximation", + "dtypeStr": "f", + "name": "x_qhp_quasi_harmonic_volume", + "shape": [ + "number_of_thermodynamical_property_values" + ], + "superNames": [ + "section_thermodycamical_properties" + ], + "units": "m**3" + }, + { + "description": "Holds the quasi harmonic thermal expansion", + "dtypeStr": "f", + "name": "x_qhp_quasi_harmonic_thermal_expansion", + "shape": [ + "number_of_thermodynamical_property_values" + ], + "superNames": [ + "section_thermodycamical_properties" + ], + "units": "K**-1" + }, { "description": "Holds the bulk modulus that is calculated from the helmolz free energy calculated from the quasi harmonic approximation", "dtypeStr": "f",