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Sep 30, 2021
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Markus Struckmann
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@@ -6,27 +6,27 @@ Check out the [KKRnano tutorial](Quick start KKRnano) for a step-by-step introdu
# Workflow
*
[
kkrnano/
Simple calculations
](
kkrnano/Simple_calculations
)
*
[
kkrnano/
DOS calculations (KKRnano version)
](
kkrnano/DOS_calculations_KKRnano
)
*
[
Simple calculations
](
kkrnano/Simple_calculations
)
*
[
DOS calculations (KKRnano version)
](
kkrnano/DOS_calculations_KKRnano
)
## Useful scripts
*
[
kkrnano/
Running kkr2.exe
](
Running_kkr2.exe
)
*
[
kkrnano/
Saving and restoring potential of a previous calculation
](
kkrnano/Saving_and_restoring_potential_of_a_previous_calculation
)
*
[
kkrnano/
Example jobfile for JUQUEEN
](
kkrnano/Example_jobfile_for_JUQUEEN
)
*
[
kkrnano/
Looping over lattice parameters
](
kkrnano/Looping_over_lattice_parameters
)
*
[
Running kkr2.exe
](
Running_kkr2.exe
)
*
[
Saving and restoring potential of a previous calculation
](
kkrnano/Saving_and_restoring_potential_of_a_previous_calculation
)
*
[
Example jobfile for JUQUEEN
](
kkrnano/Example_jobfile_for_JUQUEEN
)
*
[
Looping over lattice parameters
](
kkrnano/Looping_over_lattice_parameters
)
## Running tests
*
[
kkrnano/
Running tests after altering the code
](
kkrnano/Running_tests_after_altering_the_code
)
*
[
Running tests after altering the code
](
kkrnano/Running_tests_after_altering_the_code
)
## Advanced topics
*
[
Using block circulant preconditioning
](
kkrnano/bcp
)
*
[
kkrnano/
Juqueen Notes
](
kkrnano/Juqueen_Notes
)
*
[
kkrnano/
Inflate input files for larger systems
](
kkrnano/Inflate_input_files_for_larger_systems
)
*
[
kkrnano/
Semicore contour calculations
](
kkrnano/Semicore_contour_calculations
)
*
[
kkrnano/
Non-collinear magnetism
](
kkrnano/Non-collinear_magnetism
)
*
[
Juqueen Notes
](
kkrnano/Juqueen_Notes
)
*
[
Inflate input files for larger systems
](
kkrnano/Inflate_input_files_for_larger_systems
)
*
[
Semicore contour calculations
](
kkrnano/Semicore_contour_calculations
)
*
[
Non-collinear magnetism
](
kkrnano/Non-collinear_magnetism
)
## Converged potentials
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