10000 GitHub - taixuyihao/DFT-tools: Various scripts for Vienna Ab initio Simulation Package
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DFT-tools

Various 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 make finite difference between two POSCAR files, such as FE and PE.

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Various scripts for Vienna Ab initio Simulation Package

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  • Fortran 90.0%
  • Python 10.0%
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