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
bindings
version
config
sprkkr
tools
input_parameters
outputs
potentials
physics
ase
asr
asr
bader
bandstructure
add_bs_pbe
bs_pbe
bs_pbe_html
plot_with_colors
webpanel
Result
berry
borncharges
bse
calculators
chc
convex_hull
core
database
defectformation
deformationpotentials
dimensionality
dos
emasses
exchange
fere
fermisurface
formalpolarization
gs
gw
hse
infraredpolarizability
magnetic_anisotropy
magstate
pdos
phonons
phonopy
piezoelectrictensor
plasmafrequency
polarizability
projected_bandstructure
push
raman
relax
setinfo
setup
stiffness
structureinfo
test
utils
workflow
visualise
output_files
common
examples
ASE2SPRKKR
ase2sprkkr
asr
bandstructure
bs_pbe_html
View page source
bs_pbe_html
Full name:
ase2sprkkr.asr.bandstructure.bs_pbe_html
ase2sprkkr.asr.bandstructure.
bs_pbe_html
(
row
,
filename
=
'pbe-bs.html'
,
figsize
=
(6.4,
6.4)
,
show_legend
=
True
,
s
=
2
)
[source]