ASE2SPRKKR
Contents
How to use the package
More about the package installation
Philosophy of the package (for developers)
Changelog
Hastily written ASE2SPRKKR slides
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
berry
borncharges
bse
calculators
chc
convex_hull
core
database
defectformation
deformationpotentials
dimensionality
dos
emasses
exchange
fere
count
create_corrected_db
elements_from_refs
formulas_eq
get_dE_alpha
get_hof
load_data
minimize_error
multiply_formula
only
parse_reactions
parse_refs
safe_get
select
single
unique
where
ase2sprkkr.asr.fere.DBAlreadyExistsError
ase2sprkkr.asr.fere.MaterialNotFoundError
ase2sprkkr.asr.fere.ParseError
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
ASE2SPRKKR
ase2sprkkr
asr
fere
safe_get
View page source
safe_get
Full name:
ase2sprkkr.asr.fere.safe_get
ase2sprkkr.asr.fere.
safe_get
(
db
,
prod
,
query
=
''
)
[source]