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
ase2sprkkr
commands
config
example
info
k_path
nomad
plot
run
shell
show_structure
uppasd
shared
version
ASE2SPRKKR
ase2sprkkr
tools
commands
uppasd
write_mom_file
View page source
write_mom_file
Full name:
ase2sprkkr.tools.commands.uppasd.write_mom_file
ase2sprkkr.tools.commands.uppasd.
write_mom_file
(
trim_labels
,
exclude_list
,
num_nt
,
spin_mom
,
icl
,
iq
,
output_file
=
'momfile.dat'
)
[source]