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---
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title: KKRSusc Quickstart Guide
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---
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# Perform a KKRsusc calculation
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In order to investigate spin-excitations via the KKRsusc program please
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| ... | ... | @@ -26,8 +27,7 @@ program. |
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## Step 3: Get the Impurity potential
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- Take the kkrflex_* files from step 2 and the impurity potential from step 1 and converge the impurity cluster on the susceptibility contour.
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-
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- Take the kkrflex_* files from step 2 and the impurity potential from step 1 and converge the impurity cluster on the susceptibility contour.
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## Step 4: Susceptibility Calculation
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After preparing all the necessary files, you can move forward to running a susceptibility calculation. This step consists of two runs - a parallel and a serial one.
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| ... | ... | @@ -51,7 +51,7 @@ program. |
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| *ia*.chi0* | Components of the Kohn-Sham susceptibility matrix | |
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- To plot the susceptibility, use a script that creates the ladder operator $\chi^{\pm}$, using the the matrix elements in the output.
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-
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## Step 5: Calculate Self-energy and renormalized spectrum
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To calculate the self-energy and renormalised spectrum of the system, a fitting procedure of the Green function to Padé polynomials is used, to facilitate the computational effort necessary to complete the calculation. For that, a set of kkrflex_* files similar to step 2 is needed, that contain the information for the host Green function over a large range of energies.
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