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
- promote_ase_atoms
- ase
- asr
- bindings
- common
- configuration
- examples
- gui
- input_parameters
- output_files
- outputs
- physics
- potentials
- sprkkr
- tools
- version

ASE2SPRKKR

ase2sprkkr
examples
A13_XAS
xas
View page source

xas

Full name: ase2sprkkr.examples.A13_XAS.xas

Description

X-ray absorption spectroscopy (XAS)

Functions

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© Copyright 2021, Matyáš Novák & Jano Minár.

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