| ... | ... | @@ -3,6 +3,7 @@ title: KKRSusc Quickstart Guide |
|
|
|
---
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
# Perform a KKRsusc calculation
|
|
|
|
|
|
|
|
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. |
|
|
|
| *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.
|
|
|
|
- **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
|
|
|
|
|
| ... | ... | |
