kkrsusc/perform.md

@@ -4,6 +4,7 @@ title: KKRSusc Quickstart Guide
 
 
 
+
 # Perform a KKRsusc calculation
 
 In order to investigate spin-excitations via the KKRsusc program please
@@ -25,7 +26,7 @@ program.
 
  - 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 file](kkrsusc/emesh_dat) that includes the energy points of the contour.
- - Finally do one iteration to write out the kkrflex_* files for a list of complex energy points as provided by the [emesh.dat file](kkrsusc/emesh_dat). In order to use this file you have to set the [run option](jumu/runoption) ''KKRSUSC '' in the inputcard. Futhermore, increase the 
+ - Finally do one iteration to write out the kkrflex_* files for a list of complex energy points as provided by the [emesh.dat file](kkrsusc/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` (usually a `BZDIVIDE` of 500x500x1 for thin films is sufficient), and increase the `RCLUSTZ` parameter (usually to 2.5 is enough)
 
 ## Step 3: Get the Impurity potential