From 14f4436e8e4752dd65e487d98b2b1963f482fe50 Mon Sep 17 00:00:00 2001 From: M <35793078+PhysXu@users.noreply.github.com> Date: Sun, 25 Aug 2024 14:55:26 +0800 Subject: [PATCH] Update README.md --- README.md | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index f5773e4..12ee821 100644 --- a/README.md +++ b/README.md @@ -3,7 +3,7 @@ Using Python codes to prepare xyz files for STEM simulation by Prismatic **** 1- Load LiCoO2.vasp into Vesta and export as .xyz (The LiCoO2 initial.xyz file) with Cartesian Coordinate. -**** + 2- Prepare the LiCoO2 initial.xlsx. I used OriginLab here. -**** + 3- Use the writeXYZ for Prismatic.ipynb to load the LiCoO2 initial.xlsx, and run it to get a LiCoO2 final.xyz file