metadata for girds

parent 04cfb022
......@@ -129,6 +129,20 @@
"superNames": [
"section_k_band"
]
}, {
"description": "angular grids method (specifed or auto)",
"dtypeStr": "C",
"name": "x_fhi_aims_controlIn_angular_grids_method",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "cutoff for the dependent basis",
"dtypeStr": "f",
"name": "x_fhi_aims_controlIn_basis_dep_cutoff",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "-",
"dtypeStr": "C",
......@@ -174,6 +188,41 @@
"superNames": [
"x_fhi_aims_controlIn_method"
]
}, {
"description": "first parameter of cut\\_pot",
"dtypeStr": "f",
"name": "x_fhi_aims_controlIn_cut_pot1",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "second parameter of cut\\_pot",
"dtypeStr": "f",
"name": "x_fhi_aims_controlIn_cut_pot2",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "third parameter of cut\\_pot",
"dtypeStr": "f",
"name": "x_fhi_aims_controlIn_cut_pot3",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "first parameter of division",
"dtypeStr": "f",
"name": "x_fhi_aims_controlIn_division1",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "outer grid",
"dtypeStr": "f",
"name": "x_fhi_aims_controlIn_division2",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "-",
"dtypeStr": "f",
......@@ -242,6 +291,20 @@
"superNames": [
"x_fhi_aims_controlIn_method"
]
}, {
"description": "angular leven for the hartreee part",
"dtypeStr": "i",
"name": "x_fhi_aims_controlIn_l_hartree",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "mass of the nucleus in atomic mass units",
"dtypeStr": "f",
"name": "x_fhi_aims_controlIn_mass",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "-",
"dtypeStr": "f",
......@@ -259,6 +322,13 @@
"superNames": [
"section_method"
]
}, {
"description": "charge of the nucleus",
"dtypeStr": "f",
"name": "x_fhi_aims_controlIn_nucleus",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "-",
"dtypeStr": "i",
......@@ -286,6 +356,13 @@
"superNames": [
"x_fhi_aims_controlIn_method"
]
}, {
"description": "outer grid",
"dtypeStr": "f",
"name": "x_fhi_aims_controlIn_outer_grid",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "-",
"dtypeStr": "C",
......@@ -296,6 +373,27 @@
"settings_relativity",
"x_fhi_aims_controlIn_method"
]
}, {
"description": "first parameter of radial\\_base",
"dtypeStr": "f",
"name": "x_fhi_aims_controlIn_radial_base1",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "second parameter of radial\\_base",
"dtypeStr": "f",
"name": "x_fhi_aims_controlIn_radial_base2",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "radial multiplier",
"dtypeStr": "i",
"name": "x_fhi_aims_controlIn_radial_multiplier",
"superNames": [
"x_fhi_aims_section_controlIn_basis_set"
]
}, {
"description": "-",
"dtypeStr": "f",
......
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