update readme.txt for band unfolding

quanshengwu · Dec 9, 2019 · be71e40 · be71e40
1 parent 3fd95cd
commit be71e40
Show file tree

Hide file tree

Showing 2 changed files with 8 additions and 5 deletions.
diff --git a/examples/TBG-13.2degree/readme.txt b/examples/TBG-13.2degree/readme.txt
@@ -0,0 +1,3 @@
+This is an example to show how to unfold bands in WannierTools.
+Please unzip the TBG_13.2_hr.tar.gz file in order to get TBG_13.2_hr.dat
+tar xzvf TBG_13.2_hr.tar.gz
diff --git a/examples/TBG-13.2degree/wt.in b/examples/TBG-13.2degree/wt.in
@@ -5,9 +5,9 @@
 
  !> bulk band structure calculation flag
  &CONTROL
- BulkBand_calc         = T
- BulkBand_plane_calc   = F
- BulkBand_Unfold_line_calc          = T
+ BulkBand_calc         = F
+ BulkFS_plane_calc   = T
+ BulkBand_Unfold_line_calc          = F
  BulkBand_Unfold_plane_calc         = F
  /
 
@@ -23,8 +23,8 @@
  OmegaNum_unfold =600       ! omega number
  OmegaMin = -13.0     ! energy interval
  OmegaMax =  7.0     ! energy interval
- Nk1 =200           ! number k points
- Nk2 =200          ! number k points
+ Nk1 =401           ! number k points
+ Nk2 =401          ! number k points
  /