Commit 220d2a3c authored by Chibani, Wael (wlc)'s avatar Chibani, Wael (wlc)
Browse files

Relevant MetaInfo for the perturbative GW parsing

parent e5ddc212
......@@ -808,6 +808,16 @@
"fhi_aims_section_eigenvalues_list_ZORA"
],
"units": "J"
}, {
"description": "Single eigenvalue of perturbative GW",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_eigenvalue_perturbativeGW",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_list_perturbativeGW"
],
"units": "J"
}, {
"description": "Single eigenvalue",
"dtypeStr": "f",
......@@ -881,6 +891,15 @@
"superNames": [
"fhi_aims_section_eigenvalues_list_ZORA"
]
}, {
"description": "Occupation of single eigenfunction of perturbative GW",
"dtypeStr": "f",
"name": "fhi_aims_eigenvalue_occupation_perturbativeGW",
"repeats": true,
"shape": [],
"superNames": [
"fhi_aims_section_eigenvalues_list_perturbativeGW"
]
}, {
"description": "Occupation of single eigenfunction",
"dtypeStr": "f",
......@@ -1284,6 +1303,14 @@
"superNames": [
"section_run"
]
}, {
"description": "section for full list of eigenvalues for different spin and kpoints from a perturbative GW calculation",
"kindStr": "type_section",
"name": "fhi_aims_section_eigenvalues_group_perturbativeGW",
"repeats": false,
"superNames": [
"section_single_configuration_calculation"
]
}, {
"description": "section for full list of eigenvalues for different spin and kpoints of scaled ZORA",
"kindStr": "type_section",
......@@ -1316,6 +1343,14 @@
"superNames": [
"fhi_aims_section_eigenvalues_spin"
]
}, {
"description": "section for one list of eigenvalues from a perturbative GW calculation",
"kindStr": "type_section",
"name": "fhi_aims_section_eigenvalues_list_perturbativeGW",
"repeats": true,
"superNames": [
"fhi_aims_section_eigenvalues_spin"
]
}, {
"description": "section for one spin orientation of scaled ZORA",
"kindStr": "type_section",
......@@ -1324,6 +1359,14 @@
"superNames": [
"fhi_aims_section_eigenvalues_group_ZORA"
]
}, {
"description": "section for one spin orientation from a perturbative GW calculation",
"kindStr": "type_section",
"name": "fhi_aims_section_eigenvalues_spin_perturbativeGW",
"repeats": true,
"superNames": [
"fhi_aims_section_eigenvalues_group_perturbativeGW"
]
}, {
"description": "section for one spin orientation",
"kindStr": "type_section",
......
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