DFT-tools

Scripts for Vienna Ab initio Simulation Package.

1. Born Charge ：scripts for born charge calculation coded by fortran.
2. Phonon : Phonopy postprocessing scripts coded by python.
3. Rotation : Oct rotation scripts coded by fortran.
4. Supercell : scripts for making supercell coded by python.
5. Band structure : scripts for band structure calculation coded by fortran.
6. diff_POSCAR : scripts for making finite difference between two POSCAR files, such as FE and PE.
7. Fitting_scripts : scripts for fitting physical parameters such as Heisenberg parameters.
8. plot_scripts: scripts for plotting band structure/DOS