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Utility scripts to generate VASP inputs #242

@henriquemiranda

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@henriquemiranda

I have a few scripts that I use all the time with VASP:

  1. symmetrize_poscar.py - to symmetrize a POSCAR to primitive of conventional cell using spglib (by default generates conventional cell, -p toggle to generate primitive cell)
  2. kmesh_poscar_spglib.py - to generate generalized cartesian meshes KPOINTS files based on a kspacing tag
  3. kpath.py - generate KPOINTS file along a path using seekpath

I think these could be useful to other people so it would be nice if we could somehow integrate them inside py4vasp.

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