ASE2SPRKKR software package
ASE2SPRKKR package provide an interface that allow use of the SPR-KKR package to electronic structure calculation within Atomic Simulation Environment (abbreviated as ASE) — Python tool that integrates the various tools for electronic structure calculation.
Usefull links
- How to use the package
- More about the package installation
- Philosophy of the package (for developers)
- Changelog
- Hastily written ASE2SPRKKR slides
Class documentation
ase2sprkkr - ASE interface to SPR-KKR electron structure calculation. |