fixed a bug in AHC calculation when there are degenerate bands

quanshengwu · Feb 24, 2022 · 27923f5 · 27923f5
1 parent 78c1f92
commit 27923f5
Showing 1 changed file with 3 additions and 1 deletion.
diff --git a/src/berrycurvature.f90 b/src/berrycurvature.f90
@@ -451,7 +451,9 @@ subroutine get_Dmn_Ham(W, velocity_Ham, Dmn_Ham)
      do i=1, 3
         do n=1, Num_wann
            do m=1, Num_wann
-              Dmn_Ham(m,n,i)=velocity_Ham(m,n,i)/(W(n)-W(m))
+              if (abs(W(n)-W(m))>eps12) then
+                 Dmn_Ham(m,n,i)=velocity_Ham(m,n,i)/(W(n)-W(m))
+              endif
            enddo
            Dmn_Ham(n, n, i)=zzero
         enddo