From 4465106e1687f11558220877feb3e460cf1bb445 Mon Sep 17 00:00:00 2001 From: chn Date: Thu, 21 Nov 2024 15:43:44 +0800 Subject: [PATCH] init --- fold/config.yaml | 18 ++++++++++++++++++ 1 file changed, 18 insertions(+) create mode 100644 fold/config.yaml diff --git a/fold/config.yaml b/fold/config.yaml new file mode 100644 index 0000000..3bc8ff4 --- /dev/null +++ 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