created input fdf format

input.fdf

@@ -5,21 +5,9 @@ OutputFile      ./Fe3GeTe2_notebook
 ScfOrientation  [ 0   0   1 ]
 
 %block XCF_Rotation
-    1   0   0
+    1   0   0   0   1   0   0   0   1
-    0   1   0
+    0   1   0   1   0   0   0   0   1
-    0   0   1
+    0   0   1   1   0   0   0   1   0
-%endblock XCFRotation
-
-%block XCF_Rotation
-    0   1   0
-    1   0   0
-    0   0   1
-%endblock XCFRotation
-
-%block XCF_Rotation
-    0   0   1
-    1   0   0
-    0   1   0
 %endblock XCFRotation
 
 %block MagneticEntites # atom index and orbital index
@@ -28,6 +16,18 @@ ScfOrientation  [ 0   0   1 ]
     5   2
 %endblock MagneticEntites
 
+%block MagneticEntites 
+Claster 4 5                 # this is a list of atoms
+AtomShell 3 2               # this is one atom and shell index
+AtomShell 4 2               # this is one atom and shell index
+AtomShell 5 2               # this is one atom and shell index
+
+AtomOrbital 3               # this is one atom and orbital index
+ExplicitOrbital             # this is a slice of  orbital index
+%endblock MagneticEntites
+
+
+
 %Pairsblock # MagneticEntites index ai and aj, supercell offset 
     0   1   0   0   0
     0   2   0   0   0