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Update KKRSusc Quickstart Guide authored by Raffaele Aliberti's avatar Raffaele Aliberti
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...@@ -3,6 +3,7 @@ title: KKRSusc Quickstart Guide ...@@ -3,6 +3,7 @@ title: KKRSusc Quickstart Guide
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# Perform a KKRsusc calculation # Perform a KKRsusc calculation
In order to investigate spin-excitations via the KKRsusc program please In order to investigate spin-excitations via the KKRsusc program please
...@@ -54,6 +55,8 @@ and step 5 is finally performed with the KKRsusc program itself. ...@@ -54,6 +55,8 @@ and step 5 is finally performed with the KKRsusc program itself.
| *ia*.chi0* | Components of the Kohn-Sham susceptibility matrix | | | *ia*.chi0* | Components of the Kohn-Sham susceptibility matrix | |
- To plot the susceptibility, use a script that creates the ladder operator $\chi^{\pm}$, using the the matrix elements in the output. - To plot the susceptibility, use a script that creates the ladder operator $\chi^{\pm}$, using the the matrix elements in the output.
- **NOTE** The program as of now ends by crashing even if it is successful
- **NOTE** The `kernel.dat` file is not overwritten if a serial calculation is relaunched in the same folder.
## Step 5: Calculate Self-energy and renormalized spectrum ## Step 5: Calculate Self-energy and renormalized spectrum
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