common: added fractional coordinates to description of k-points for the band segments

fhi_aims: added metadata for parsing of the band structure

meta_info/nomad_meta_info/common.nomadmetainfo.json

@@ -185,7 +185,7 @@
         "section_k_band"
       ]
     }, {
-      "description": "Coordinates of the k points actually building the band",
+      "description": "Fractional coordinates of the k points (i.e. in the basis of the reciprocal lattice vectors) actually building the band",
       "dtypeStr": "f",
       "name": "band_k_points",
       "shape": [
@@ -221,7 +221,7 @@
         "section_k_band"
       ]
     }, {
-      "description": "Coordinates of the start and end point of the segments sampled in the k-space",
+      "description": "Fractional coordinates of the start and end point (i.e. in the basis of the reciprocal lattice vectors) of the segments sampled in the k-space",
       "dtypeStr": "f",
       "name": "band_segm_start_end",
       "shape": [

meta_info/nomad_meta_info/fhi_aims.nomadmetainfo.json

@@ -42,6 +42,15 @@
       "superNames": [
         "section_k_band"
       ]
+    }, {
+      "description": "-",
+      "dtypeStr": "i",
+      "name": "fhi_aims_band_segment",
+      "repeats": false,
+      "shape": [],
+      "superNames": [
+        "section_k_band"
+      ]
     }, {
       "description": "-",
       "dtypeStr": "f",
@@ -273,6 +282,60 @@
         "fhi_aims_controlIn_method",
         "settings_XC_functional"
       ]
+    }, {
+      "description": "-",
+      "dtypeStr": "f",
+      "name": "fhi_aims_controlInOut_band_segment_end1",
+      "repeats": false,
+      "shape": [],
+      "superNames": [
+        "fhi_aims_controlInOut_method"
+      ]
+    }, {
+      "description": "-",
+      "dtypeStr": "f",
+      "name": "fhi_aims_controlInOut_band_segment_end2",
+      "repeats": false,
+      "shape": [],
+      "superNames": [
+        "fhi_aims_controlInOut_method"
+      ]
+    }, {
+      "description": "-",
+      "dtypeStr": "f",
+      "name": "fhi_aims_controlInOut_band_segment_end3",
+      "repeats": false,
+      "shape": [],
+      "superNames": [
+        "fhi_aims_controlInOut_method"
+      ]
+    }, {
+      "description": "-",
+      "dtypeStr": "f",
+      "name": "fhi_aims_controlInOut_band_segment_start1",
+      "repeats": false,
+      "shape": [],
+      "superNames": [
+        "fhi_aims_controlInOut_method"
+      ]
+    }, {
+      "description": "-",
+      "dtypeStr": "f",
+      "name": "fhi_aims_controlInOut_band_segment_start2",
+      "repeats": false,
+      "shape": [],
+      "superNames": [
+        "fhi_aims_controlInOut_method"
+      ]
+    }, {
+      "description": "-",
+      "dtypeStr": "f",
+      "name": "fhi_aims_controlInOut_band_segment_start3",
+      "repeats": false,
+      "shape": [],
+      "superNames": [
+        "fhi_aims_controlInOut_method"
+      ]
     }, {
       "description": "-",
       "dtypeStr": "f",
@@ -332,6 +395,15 @@
       "superNames": [
         "fhi_aims_controlInOut_method"
       ]
+    }, {
+      "description": "-",
+      "dtypeStr": "i",
+      "name": "fhi_aims_controlInOut_max_spin_channel",
+      "repeats": false,
+      "shape": [],
+      "superNames": [
+        "fhi_aims_controlInOut_method"
+      ]
     }, {
       "description": "-",
       "dtypeStr": "f",