setup

Full name: ase2sprkkr.asr.setup

Description

Modules

decorate

Generate chemically similar atomic structures.

defects

Generate defective atomic structures.

displacements

Module for generating atomic structures with displaced atoms.

magnetize

Generate magnetic atomic structures.

materials

Generate database with test systems.

params

Generate parameter file 'params.json'.

scanparams

Generate folder with different parameters.

strains

Generate strained atomic structures.

symmetrize

Generate symmetrized atomic structure.