kkrsusc/perform.md

@@ -11,6 +11,7 @@ title: KKRSusc Quickstart Guide
 
 
 
+
 # Perform a KKRsusc calculation
 
 In order to investigate spin-excitations via the KKRsusc program please
@@ -32,7 +33,7 @@ and step 5 is finally performed with the KKRsusc program itself.
 
  - To perform a susceptibility calculation, a detailed description of the region around the Fermi level is needed. For that reason the impurity cluster needs to be converged on a new contour, that includes energy points at $E_F$ and goes down to the real axis.
  - To create the contour, use the [meshpanels.dat file](kkrsusc/meshpanels.dat). Substitute the Fermi energy with the one for your system, and run the `emesh.x` executable, included in the KKRSusc package. This will result in a file called `emesh.dat` that includes the 50 energy points of the contour, that goes up to the Fermi energy.
- - Finally do one iteration to write out the kkrflex_* files for a list of complex energy points as provided by the `emesh.dat`. In order to use this file you have to set the [run option](jumu/runoption) `KKRSUSC` in the inputcard. Futhermore, increase the `BZDIVIDE` to a higher value (for thin film a 500x500x1 mesh is usally enough), and the `RCLUSTZ` parameter so that the cluster includes 200-300 atoms (usually a value of 2.5 is enough).
+ - Finally do one iteration to write out the kkrflex_* files for a list of complex energy points as provided by the `emesh.dat`. In order to use this file you have to set the [run option (jumu/runoption) `KKRSUSC` in the inputcard. Futhermore, increase the `BZDIVIDE` to a higher value (for thin film a 500x500x1 mesh is usally enough), and the `RCLUSTZ` parameter so that the cluster includes 200-300 atoms (usually a value of 2.5 is enough).
 
 ## Step 3: Get the Impurity potential