... | ... | @@ -38,4 +38,12 @@ JuKKR collects a number of programs that share common source code (e.g., the Che |
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### CPA
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Useful information on the CPA algorithm and its implementation in JuKKR including reference points (names of source files found in `source/KKRhost`) to the JuKKR specific implementation are summarized in [these notes By Manuel dos Santos Dias.](uploads/d03af6032027c9d729809b6aa5a1992f/Short_notes_on_CPA_in_KKR-2.pdf) |
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Useful information on the CPA algorithm and its implementation in JuKKR including reference points (names of source files found in `source/KKRhost`) to the JuKKR specific implementation are summarized in these [notes By Manuel dos Santos Dias.](uploads/d03af6032027c9d729809b6aa5a1992f/Short_notes_on_CPA_in_KKR-2.pdf)
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### BdG
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The Bogoliubov-de Gennes implementation is found mainly on the `BdG` branch of JuKKR. Since the BdG implementation requires many changes in matrix sizes, these changes appear throughout the code but they usually are triggered with the `kBdG` parameter which changes from `kBdG=0` to `kBdG=1` when the BdG formalism is used. This then translates into matrix dimension that change to `lmmax*(1+kBdG)` taking this into account.
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The main changes to the radial solver are published in the [KS-BdG method paper](https://journals.aps.org/prb/abstract/10.1103/PhysRevB.105.125143).
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Useful might also be the following [notes on the KKRhost code](uploads/e84755724df5819dd1c754d7ada2ea36/KKR_BdG_formalism_in_the_JuKKR_code-2.pdf) detailing the KKR multiple scattering formalism with implementation details and important changes introduced by the BdG formalism. |
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