ASE2SPRKKR
Contents
How to use the package
More about the package installation
Philosophy of the package (for developers)
Changelog
Hastily written ASE2SPRKKR slides
Examples
Links
ASE2SPRKKR homepage
ASE - atomic simulation environment
SPR-KKR
GitHub repository
PyPI package
SPR-KKR manual
Class documentation
ase2sprkkr
ase
asr
bindings
common
configuration
examples
A1_Fe_scf_simple
A2_Fe_scf_input_modifications
A3_Fe_dos
A4_CPA_Example
A5_Al_EOS
A6_Cu_MSSPEC
Cu
A7_SrTiO3_MSSPEC
A8_ARPES_and_plotting
input_parameters
output_files
outputs
physics
potentials
sprkkr
tools
version
visualise
ASE2SPRKKR
ase2sprkkr
examples
A6_Cu_MSSPEC
Cu
main
View page source
main
Full name:
ase2sprkkr.examples.A6_Cu_MSSPEC.Cu.main
ase2sprkkr.examples.A6_Cu_MSSPEC.Cu.
main
(
args
)
[source]