Commit 4548495e authored by Hagen-Henrik Kowalski's avatar Hagen-Henrik Kowalski

added meta info on quasi-harmonic properties

parent a94119a4
{
"type": "nomad_meta_info_1_0",
"description": "quasi harmonic meta info, not specific to any code",
"dependencies": [ {
"relativePath": "common.nomadmetainfo.json"
}],
"metaInfos": [ {
"description": "Holds the quasi harmonic free energy per atom",
"dtypeStr": "f",
"name": "x_qhp_quasi_harmonic_free_energy",
"shape": [
"number_of_thermodynamical_property_values"
],
"superNames": [
"section_thermodycamical_properties"
],
"units": "J"
},
{
"description": "Holds the bulk modulus that is calculated from the helmolz free energy calculated from the quasi harmonic approximation",
"dtypeStr": "f",
"name": "x_qhp_quasi_harmonic_bulk_modulus",
"shape": [
"number_of_thermodynamical_property_values"
],
"superNames": [
"section_thermodycamical_properties"
],
"units": "J*m**-3"
}
]
}
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