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nomad-lab
nomad-meta-info
Commits
d9cbb3db
Commit
d9cbb3db
authored
Nov 04, 2016
by
Hagen-Henrik Kowalski
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message
parent
82bd9411
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meta_info/nomad_meta_info/phonopy.nomadmetainfo.json
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d9cbb3db
{
"type"
:
"nomad_meta_info_1_0"
,
"description"
:
"Phonopy meta info, not specific to any code"
,
"dependencies"
:
[
{
"relativePath"
:
"common.nomadmetainfo.json"
}],
"metaInfos"
:
[
{
"description"
:
"Information about properties that concerne phonopy calculations."
,
"kindStr"
:
"type_
abstract_
document_content"
,
"name"
:
"
accessor
y_info"
,
"kindStr"
:
"type_document_content"
,
"name"
:
"
phonop
y_info"
,
"superNames"
:
[]
},
{
"description"
:
"Aplitude of the atom diplacement for the phonopy supercell"
"dtypeStr"
:
f
"name"
:
"displacement"
"dtypeStr"
:
"f"
"name"
:
"
x_phonopy_
displacement"
"shape"
:
[]
"units"
:
"m"
},
{
"description"
:
"Matrix that transforms the primitive lattice into th supercell lattice"
"dtypeStr"
:
f
"name"
:
"SC_matrix"
"shape"
:
[
3
,
3
]
},
{
"description"
:
"Symmetrie threshold for the space group identification of the crystal for which the vibrational properties are to be calculated"
"dtypeStr"
:
"f"
"name"
:
"symprec"
"shape"
:
[]
"units"
:
"m"
},
{
"description"
:
"Symmetrie threshold for the space group identification of the crystal for which the vibrational properties are to be calculated"
"dtypeStr"
:
"f"
"name"
:
"symprec"
"name"
:
"
x_phonopy_
symprec"
"shape"
:
[]
"units"
:
"m"
}
,
}
]
}
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