build

Full name: ase2sprkkr.sprkkr.build

Description

This module contains routines for building systems, which can be used for SPR-KKR calculations - e.g. system with vacuum pseudoatoms, or 2D semiinfinite systems

Functions

semiinfinite_system(atoms, repeat[, atoms2, ...])	Build a semiinfinite system from one or two 3D periodic systems.
stack(atomses, axis, *args[, inherit_cell])	Stack the atoms along given axis to a one object, creating the regions in the atoms.
vacuum_like(atoms)	Creates a copy of atoms, filled with vacuum pseudoatoms