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
empty_spheres
es_finder
nomad
spglib
xband
spheres_debug
spheres
symmetry
common
configuration
examples
gui
input_parameters
output_files
outputs
physics
potentials
sprkkr
tools
version
ASE2SPRKKR
ase2sprkkr
bindings
xband
spheres
empty_spheres
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empty_spheres
Full name:
ase2sprkkr.bindings.xband.spheres.empty_spheres
ase2sprkkr.bindings.xband.spheres.
empty_spheres
(
atoms
,
min_radius
=
0.65
,
max_radius
=
2.0
,
verbose
=
False
,
max_spheres
=
256
,
return_atom_rws
=
False
,
use_spacegroup
=
True
,
mesh
=
24
)