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epfl-theos · Jun 14, 2024 · a633d3d · a633d3d
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diff --git a/docs/tutorials/tutorial_6.rst b/docs/tutorials/tutorial_6.rst
@@ -3,7 +3,7 @@
 Tutorial 6: the band structure of bulk CrI3
 =========================================================================
 
-In this tutorial we will calculate the band structure of the bulk ferromagnetic semiconductor CrI3 using supercell formulation of Koopmans. The input file for this tutorial can be downloaded :download:`here <../../tutorials/tutorial_6/cri3.json>`.
+In this tutorial we will calculate the band structure of the bulk ferromagnetic semiconductor CrI3 using the supercell formulation of Koopmans. The input file for this tutorial can be downloaded :download:`here <../../tutorials/tutorial_6/cri3.json>`.
 
 Calculating the Koopmans band structure
 ---------------------------------------
@@ -28,8 +28,14 @@ We provide this information to Koopmans by setting ``spin_polarized`` to ``true`
   :lineno-start: 45
   :emphasize-lines: 3, 7,8
 
+For a ferromagnetic systems two sets of Wannier projections need to be provided. This is specified in the wannier parameter splitting the ``w90`` list into an up and down blocks:
 
-The rest of the file contains the atomic coordinates, k-point configuration, and the Wannier projectors (one set for each spin channel), which we will discuss later.
+.. literalinclude:: ../../tutorials/tutorial_6/cri3.json
+  :lines: 55-75
+  :lineno-start: 55
+  :emphasize-lines: 2, 11
+
+The rest of the file contains the atomic coordinates and k-point configuration., 
 
 Running the calculation
 ^^^^^^^^^^^^^^^^^^^^^^^

diff --git a/tutorials/tutorial_6/cri3.json b/tutorials/tutorial_6/cri3.json
@@ -6,8 +6,8 @@
         "method": "dscf",
         "init_orbitals": "mlwfs",
         "calculate_alpha" : false,
-	"alpha_guess" : 0.122,
-	"spin_polarized": true,
+        "alpha_guess" : 0.122,
+        "spin_polarized": true,
         "pseudo_library": "pseudo_dojo_standard"
     },
     "atoms": {
@@ -39,40 +39,40 @@
             2,
             2
         ],
-	"path": "GLFG",
-	"density": 30
+        "path": "GLFG",
+        "density": 30
     },
     "calculator_parameters": {
         "ecutwfc": 30.0,
-	"tot_magnetization": 6,
+        "tot_magnetization": 6,
         "pw": {
             "system": {
                 "nbnd": 42,
                 "starting_magnetization(1)":    3.5714285714e-01, 
                 "starting_magnetization(2)":   1.0000000000e-01
             }
         },
-        "w90": {
-	    "up":{
-            "projections": [
-               	[{"site": "Cr", "ang_mtm": "l=0"}], 
-               	[{"site": "Cr", "ang_mtm": "l=1"}], 
-                [{"site": "I",  "ang_mtm": "l=0"}], 
-                [{"site": "I",  "ang_mtm": "l=1"},"Cr:l=2,mr=1", "Cr:l=2,mr=4", "Cr:l=2,mr=5"],
-		["Cr:l=2,mr=2", "Cr:l=2,mr=3"]
-            ]
-        },
-	"down":{
-            "projections": [
-                [{"site": "Cr", "ang_mtm": "l=0"}],
-                [{"site": "Cr", "ang_mtm": "l=1"}],
-                [{"site": "I" , "ang_mtm": "l=0"}],
-                [{"site": "I" , "ang_mtm": "l=1"}],
-                ["Cr:l=2,mr=1", "Cr:l=2,mr=4", "Cr:l=2,mr=5"],
-     		["Cr:l=2,mr=2", "Cr:l=2,mr=3"]
-            ]
+        "w90":
+            "up":{
+                "projections": [
+			[{"site": "Cr", "ang_mtm": "l=0"}], 
+			[{"site": "Cr", "ang_mtm": "l=1"}], 
+			[{"site": "I",  "ang_mtm": "l=0"}], 
+			[{"site": "I",  "ang_mtm": "l=1"},"Cr:l=2,mr=1", "Cr:l=2,mr=4", "Cr:l=2,mr=5"],
+			["Cr:l=2,mr=2", "Cr:l=2,mr=3"]
+                ]
+            },
+            "down":{
+                "projections": [
+			[{"site": "Cr", "ang_mtm": "l=0"}],
+			[{"site": "Cr", "ang_mtm": "l=1"}],
+			[{"site": "I" , "ang_mtm": "l=0"}],
+			[{"site": "I" , "ang_mtm": "l=1"}],
+			["Cr:l=2,mr=1", "Cr:l=2,mr=4", "Cr:l=2,mr=5"],
+			["Cr:l=2,mr=2", "Cr:l=2,mr=3"]
+                ]
+            }
         }
-	}
     }
 }