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
A01_Fe_scf_simple
A02_Fe_scf_input_modifications
A03_Fe_dos
A04_CPA_Example
A05_Al_EOS
A06_Cu_MSSPEC
A07_SrTiO3_MSSPEC
A08_ARPES_and_plotting
A09_EmptySpheres
A10_DLM
A11_Torque
test_torque
A12_JXC
A13_XAS
gui
input_parameters
output_files
outputs
physics
potentials
sprkkr
tools
version
ASE2SPRKKR
ase2sprkkr
examples
A11_Torque
test_torque
main
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main
Full name:
ase2sprkkr.examples.A11_Torque.test_torque.main
ase2sprkkr.examples.A11_Torque.test_torque.
main
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