In order to investigate spin-excitations via the KKRsusc program please follow the instructions as given hereafter.
In order to investigate spin-excitations via the KKRsusc program please follow the instructions as given hereafter.
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@@ -48,7 +49,7 @@ Step 1 and 2 are done with the Jülich-München code, step 3 and 4 utilize the K
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@@ -48,7 +49,7 @@ Step 1 and 2 are done with the Jülich-München code, step 3 and 4 utilize the K
| _ia_.chid\* | Components of the susceptibility matrix, in spherical basis | |
| _ia_.chid\* | Components of the susceptibility matrix, in spherical basis | |
| _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 <spandir="">\\chi^{\\pm}</span>, 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 `kernel.dat` file is not overwritten if a serial calculation is relaunched in the same folder.
-**NOTE** The `kernel.dat` file is not overwritten if a serial calculation is relaunched in the same folder.
-**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:
-**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:
