Change meta info name for scf total energy

meta_info/nomad_meta_info/orca.nomadmetainfo.json

@@ -865,7 +865,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_single_configuration_calculation"
+        "section_scf_iteration"
       ]
     }, {
       "description": "-",
@@ -873,8 +873,7 @@
       "name": "x_orca_last_energy_change",
       "repeats": true,
       "shape": [],
-      "superNames": [
-        "section_single_configuration_calculation"
+      "superNames": ["section_scf_iteration"
       ]
     }, {
       "description": "-",
@@ -883,7 +882,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_single_configuration_calculation"
+        "section_scf_iteration"
       ]
     }, {
       "description": "-",
@@ -892,7 +891,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_single_configuration_calculation"
+        "section_scf_iteration"
       ]
     }, {
       "description": "-",
@@ -901,7 +900,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_single_configuration_calculation"
+        "section_scf_iteration"
       ]
     }, {
       "description": "-",
@@ -910,7 +909,7 @@
       "repeats": true,
       "shape": [],
       "superNames": [
-        "section_single_configuration_calculation"
+        "section_scf_iteration"
       ]
     }, {
       "description": "-",
@@ -1563,7 +1562,7 @@
     }, {
       "description": "-",
       "dtypeStr": "f",
-      "name": "x_orca_scf_total_energy",
+      "name": "energy_total_scf_iteration",
       "repeats": true,
       "shape": [],
       "superNames": [