interpolate_structures

atomate2.vasp.jobs.ferroelectric.interpolate_structures(p_st, np_st, nimages)[source]

Interpolate linearly the polar and the nonpolar structures with nimages structures.

Parameters:
  • p_st (Structure) – A pymatgen structure of polar phase.

  • np_st (Structure) – A pymatgen structure of nonpolar phase.

  • nimages (int) – Number of interpolatated structures calculated from polar to nonpolar structures.

Return type:

List of interpolated structures