From febbedaf167a3c84af2a857d14f55425f451be50 Mon Sep 17 00:00:00 2001
From: lopa <pardini@physik.hu-berlin.de>
Date: Fri, 2 Feb 2018 09:51:30 +0100
Subject: [PATCH] added gw bandgap, frequencies and more

---
 .../nomad_meta_info/common.nomadmetainfo.json | 55 +++++++++++++++++++
 1 file changed, 55 insertions(+)

diff --git a/meta_info/nomad_meta_info/common.nomadmetainfo.json b/meta_info/nomad_meta_info/common.nomadmetainfo.json
index bce3a28..eed8a14 100644
--- a/meta_info/nomad_meta_info/common.nomadmetainfo.json
+++ b/meta_info/nomad_meta_info/common.nomadmetainfo.json
@@ -289,6 +289,33 @@
       "superNames": [
         "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.",
       "dtypeStr": "f",
@@ -365,6 +392,34 @@
       "superNames": [
         "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.",
       "dtypeStr": "i",
-- 
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