diff --git a/README.md b/README.md index 0ba201a..d0273c2 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,6 @@ # Prepare_xyz_for_Prismatic 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. +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