Cell¶

class py4vasp.raw.Cell(lattice_vectors: VaspData, scale: float = 1.0)¶

Bases: object

Unit cell of the crystal or simulation cell for molecules.

In MD simulations or relaxations, VASP exports the unit cell for every step, because it may change depending on the ISIF setting.

Attributes Summary

scale

Global scaling factor applied to all lattice vectors.

Attributes Documentation

scale: float = 1.0¶

Global scaling factor applied to all lattice vectors.