Update magtb.wl

zhangzeyingvv · Jul 5, 2022 · 006dbe1 · 006dbe1
1 parent ce1b7f8
commit 006dbe1
Showing 1 changed file with 7 additions and 6 deletions.
diff --git a/MagneticTB/magtb.wl b/MagneticTB/magtb.wl
@@ -57,6 +57,11 @@ init[OptionsPattern[]]:=Module[{norm,repall,symopinit},
     Which[#[[4]]=="F",Det[#[[2]]]#[[2]] . wyck[[2]],
     #[[4]]=="T",-Det[#[[2]]]#[[2]] . wyck[[2]]]}&/@symminfo),{wyck,wyckoff}];
   basis=OptionValue[basisFunctions];
+  If[Length[Intersection[VectorAngle@@@(Subsets[latt,{2}]/.latpar),{(2 \[Pi])/3,\[Pi]/3}]]>0,
+  basisdict["dx2-y2"]=(x^2 - y^2);
+  basisdict["dx2-y2dn"]->Reverse@{(x^2 - y^2),0};
+  basisdict["dx2-y2up"]->{(x^2 - y^2),0};
+];
   pointops=pointMatrix[symminfo,#,lattplot]&/@basis;
 (*Print[pointops];*)
   symopinit=Table[symop[i],{i,Length[wyckoff]}];
@@ -79,13 +84,9 @@ init[OptionsPattern[]]:=Module[{norm,repall,symopinit},
   nbasesperwyck=Length/@basis;
   Flatten[Table[Table[Table[atompos[[i,j,1]],nbasesperwyck[[i]]],{j,natomperwyck[[i]]}],{i,Length[natomperwyck]}],2]
   ];
-  If[Length[Intersection[VectorAngle@@@(Subsets[latt,{2}]/.latpar),{(2 \[Pi])/3,\[Pi]/3}]]>0,
-  basisdict["dx2-y2"]=(x^2 - y^2);
-  basisdict["dx2-y2dn"]->Reverse@{(x^2 - y^2),0};
-  basisdict["dx2-y2up"]->{(x^2 - y^2),0};
-];
-
+
 
+];
 
 
 basisdict=<|