... | ... | @@ -6,6 +6,7 @@ title: KKRSusc Quickstart Guide |
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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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... | ... | @@ -57,8 +58,17 @@ and step 5 is finally performed with the KKRsusc program itself. |
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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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- **NOTE** The program as of now ends by crashing even if it is successful
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- **NOTE** The `kernel.dat` file is not overwritten if a serial calculation is relaunched in the same folder.
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- **NOTE** The program as of now ends by crashing even if it is successful. If the calculation was successful the final lines of the output file should reads like this:
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```
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Dynamic KS susc time= 0.495 s
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gaunts rep 0.002 s
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kernel rep 0.000 s
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susc rep 66.345 s
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```
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## Step 5: Calculate Self-energy and renormalized spectrum
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