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