vibeqc.write_poscar

vibeqc.write_poscar(path, crystal, comment='generated by vibe-qc')[source]

Write a Crystal to VASP 5 POSCAR (Direct coordinates, Å lattice).

Elements are grouped by Z in first-occurrence order so the output round-trips read_poscar().

Parameters:

  • path (str | Path)

  • crystal (vibeqc._vibeqc_core.Crystal)

  • comment (str)

Return type:

None