added gw bandgap, frequencies and more

parent 7b7143e8
...@@ -289,6 +289,33 @@ ...@@ -289,6 +289,33 @@
"superNames": [ "superNames": [
"section_method" "section_method"
] ]
}, {
"description": "GW Fermi energy",
"dtypeStr": "f",
"name": "gw_fermi_energy",
"shape": [],
"superNames": [
"section_single_configuration_calculation"
],
"units": "J"
}, {
"description": "GW fundamental band gap",
"dtypeStr": "f",
"name": "gw_fundamental_gap",
"shape": [],
"superNames": [
"section_single_configuration_calculation"
],
"units": "J"
}, {
"description": "GW optical band gap",
"dtypeStr": "f",
"name": "gw_optical_gap",
"shape": [],
"superNames": [
"section_single_configuration_calculation"
],
"units": "J"
}, { }, {
"description": "Maximum G for the pw basis for the Coulomb potential.", "description": "Maximum G for the pw basis for the Coulomb potential.",
"dtypeStr": "f", "dtypeStr": "f",
...@@ -365,6 +392,34 @@ ...@@ -365,6 +392,34 @@
"superNames": [ "superNames": [
"section_method" "section_method"
] ]
}, {
"description": "Number referring to the frequency used in the calculation of the self energy.",
"dtypeStr": "i",
"name": "gw_frequency_number",
"repeats": true,
"shape": [],
"superNames": [
"section_method"
]
}, {
"description": "Values of the frequency used in the calculation of the self energy.",
"dtypeStr": "f",
"name": "gw_frequency_values",
"repeats": true,
"shape": [],
"superNames": [
"section_method"
],
"units": "J"
}, {
"description": "Weights of the frequency used in the calculation of the self energy.",
"dtypeStr": "f",
"name": "gw_frequency_weights",
"repeats": true,
"shape": [],
"superNames": [
"section_method"
]
}, { }, {
"description": "Number of frequency points used in the calculation of the self energy.", "description": "Number of frequency points used in the calculation of the self energy.",
"dtypeStr": "i", "dtypeStr": "i",
......
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