added metadata for bandstructure

parent d1e1e10b
......@@ -20,15 +20,66 @@
],
"units": "N"
}, {
"description": "kpoints for bandstructure",
"description": "number of vertices along the kpoint path used for the bandstructure plot",
"dtypeStr": "i",
"name": "x_exciting_band_number_of_vertices",
"shape": [],
"superNames": [
"x_exciting_section_bandstructure"
]
}, {
"description": "number of points along the kpoint path used for the bandstructure plot",
"dtypeStr": "i",
"name": "x_exciting_band_number_of_kpoints",
"shape": [],
"superNames": [
"x_exciting_section_bandstructure"
]
}, {
"description": "labels of the vertices along the kpoint path used for the bandstructure plot",
"dtypeStr": "C",
"name": "x_exciting_band_vertex_labels",
"shape": ["x_exciting_band_number_of_vertices"],
"superNames": [
"x_exciting_section_bandstructure"
]
}, {
"description": "coordinates of the vertices along the kpoint path used for the bandstructure plot",
"dtypeStr": "f",
"name": "x_exciting_band_k",
"repeats": true,
"name": "x_exciting_band_vertex_coordinates",
"shape": ["x_exciting_band_number_of_vertices",3],
"superNames": [
"x_exciting_section_bandstructure"
]
},{
"description": "number of eigenvalues per k-point",
"dtypeStr": "i",
"name": "x_exciting_band_number_of_eigenvalues",
"shape": [],
"superNames": [
"x_exciting_section_bandstructure"
]
}, {
"description": "Fractional coordinates of the k points (in the basis of the reciprocal-lattice vectors) for which the electronic energy are given.",
"dtypeStr": "f",
"name": "x_exciting_band_k_points",
"shape": ["x_exciting_band_number_of_kpoints"],
"superNames": [
"x_exciting_section_bandstructure"
]
}, {
"description": "$k$-dependent energies of the electronic band structure.",
"dtypeStr": "f",
"name": "x_exciting_band_energies",
"shape": [
"number_of_spin_channels",
"x_exciting_band_number_of_kpoints",
"x_exciting_band_number_of_eigenvalues"
],
"units": "m^-1"
"superNames": [
"x_exciting_section_bandstructure"
],
"units": "J"
}, {
"description": "Bandstructure energy values",
"dtypeStr": "f",
......
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