pyprocar.pyposcar.poscar_supercell#

class pyprocar.pyposcar.poscar_supercell(poscar: Poscar | str, verbose: bool = False)[source]#

class to generate a supercell by providing a supercell matrix.

Methods

poscar_supercell.__init__(poscar[, verbose])

This class created a supercell of poscar, see the supercell method

poscar_supercell.supercell(size)

Creates a supercell of the given size.

poscar_supercell.write(filename[, ...])

Just a convenience method to save the content into a file.