Commit 9b734521 authored by Hagen-Henrik Kowalski's avatar Hagen-Henrik Kowalski

added x_qhp_formula to quasi-harmonic meta data

parent 67e67d10
......@@ -40,6 +40,18 @@
],
"units": "K**-1"
},
{
"description": "The chemical formula of the material for which the quasi-harmonic properties were calculated",
"dtypeStr": "f",
"name": "x_qhp_formula",
"shape": [
"number_of_thermodynamical_property_values"
],
"superNames": [
"section_system"
],
"units": "K**-1"
},
{
"description": "Holds the bulk modulus that is calculated from the helmolz free energy calculated from the quasi harmonic approximation",
"dtypeStr": "f",
......
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