init

2024-11-21 15:43:44 +08:00
commit 4465106e16
1 changed files with 18 additions and 0 deletions
--- a/fold/config.yaml
+++ b/fold/config.yaml
@@ -0,0 +1,18 @@
+SuperCellMultiplier: [3, 4, 1]
+SuperCellDeformation:
+  - [ 1, 0, 0 ]
+  - [ 0.6666, 1, 0 ]
+  - [ 0, 0, 1 ]
+Qpoints:
+  - [0, 0, 0]
+  - [0.05, 0, 0]
+  - [0.1, 0, 0]
+  - [0.15, 0, 0]
+  - [0.2, 0, 0]
+  - [0.25, 0, 0]
+  - [0.3, 0, 0]
+  - [0.35, 0, 0]
+  - [0.4, 0, 0]
+  - [0.45, 0, 0]
+  - [0.5, 0, 0]
+OutputFile: fold-output.yaml