From be71e40083339432c15fe74c058613fc199b9878 Mon Sep 17 00:00:00 2001 From: QuanSheng Wu Date: Mon, 9 Dec 2019 15:39:24 +0100 Subject: [PATCH] update readme.txt for band unfolding --- examples/TBG-13.2degree/readme.txt | 3 +++ examples/TBG-13.2degree/wt.in | 10 +++++----- 2 files changed, 8 insertions(+), 5 deletions(-) create mode 100644 examples/TBG-13.2degree/readme.txt diff --git a/examples/TBG-13.2degree/readme.txt b/examples/TBG-13.2degree/readme.txt new file mode 100644 index 00000000..705bde01 --- /dev/null +++ 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 index 892381fe..997b117d 100644 --- 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 /