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