Commit 87e502c7 authored by Mohamed, Fawzi Roberto (fawzi)'s avatar Mohamed, Fawzi Roberto (fawzi)
Browse files

fixing phonopy (and running normalize_meta_info.py)

parent 2375d54b
...@@ -5,39 +5,38 @@ ...@@ -5,39 +5,38 @@
"relativePath": "common.nomadmetainfo.json" "relativePath": "common.nomadmetainfo.json"
}], }],
"metaInfos": [ { "metaInfos": [ {
"description": "Information about properties that concerne phonopy calculations.", "description": "Amplitude of the atom diplacement for the phonopy supercell",
"kindStr": "type_document_content", "dtypeStr": "f",
"name": "x_phonopy_displacement",
"shape": [],
"superNames": [
"x_phonopy_input"
],
"units": "m"
}, {
"description": "Information about properties that concern phonopy calculations.",
"name": "x_phonopy_input", "name": "x_phonopy_input",
"superNames": [] "superNames": []
}, }, {
{ "description": "Original cell from which the supercell for the DFT calculations was constructed",
"description": "Aplitude of the atom diplacement for the phonopy supercell" "dtypeStr": "f",
"dtypeStr": "f" "name": "x_phonopy_original_system_ref",
"name": "x_phonopy_displacement" "shape": [
"shape": [] 3,
"units": "m" 3
"superNames":[ ],
"x_phonopy_input" "superNames": [
] "section_system"
}, ],
{ "units": "m"
"description": "Symmetry threshold for the space group identification of the crystal for which the vibrational properties are to be calculated" }, {
"dtypeStr": "f" "description": "Symmetry threshold for the space group identification of the crystal for which the vibrational properties are to be calculated",
"name": "x_phonopy_symprec" "dtypeStr": "f",
"shape": [] "name": "x_phonopy_symprec",
"units": "m" "shape": [],
"superNames": [ "superNames": [
"x_phonopy_input" "x_phonopy_input"
] ],
}, "units": "m"
"description": "Origininal cell from which the supercell for the DFT calculations was constructed" }]
"dtyoeStr": "f"
"name": "x_phonopy_original_system_ref"
"shape": [3,3]
"units": "m"
"superNames": [
"section_system"
]
]
} }
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