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## Step 1: Preparation of the system
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* Starting point is a scf solution of the host structure, obtained with the Jülich-München code.
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\* Starting point is a scf solution of the host structure, obtained with the Jülich-München code.
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* The Susc program works in the atomic sphere approximation. In order to include SOC in our calculations the option called SIMULASA needs to be included in the scf steps.
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First converge the system in the full potential method. Then using the `shapefun` created with voronoi with the `RUNOPT` `SIMULASA`, and keeping the run option on, converge the system again. A quick check of the `potential` and `shapefun` files will reveal that only the spherical part is included.
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* Do one iteration to write out the [kkrflex_* files](kkrimp/kkrflex_files) and the [emesh.scf file](kkrsusc/emesh_scf).
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