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Update README.md
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PhysXu authored Aug 25, 2024
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# 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

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