ASE2SPRKKR

Contents

How to use the package
More about the package installation
Philosophy of the package (for developers)
Changelog
Authors
Hastily written ASE2SPRKKR slides
Examples

Links

ASE2SPRKKR homepage
ASE - atomic simulation environment
SPR-KKR
GitHub repository
PyPI package
SPR-KKR manual

Class documentation

ase2sprkkr

ASE2SPRKKR

ase2sprkkr
examples
A09_EmptySpheres
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A09_EmptySpheres

Full name: ase2sprkkr.examples.A09_EmptySpheres

Description

Modules

empty_spheres

Add empty spheres to open diamond Si for an atomic-sphere calculation.

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© Copyright 2021, Matyáš Novák & Jano Minár.

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