kkrsusc/perform.md

@@ -24,15 +24,16 @@ program.
  - 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.
 
-## 
 ## Step 3: Get the potential for different applied magnetic fields
 
- - Take the kkrflex_* files from step 1 and modify them according to your requested impurity structure (Also: Don't forget the modification of the potential file).
- - Run the impurity program and converge the potential for different applied magnetic fields as well as for no applied field. More information can be found in the [config file](kkrimp/config_file).
-
+ - Take the kkrflex_* files from step 2 and the impurity potential from step 1 and converge the impurity cluster on the susceptibility contour.
+ - 
 ## Step 4: Get the basis functions for the projected Green function
 
-  For each applied magnetic field:
+  After preparing all the necessary files, you can move forward to running a susceptibility calculation. This step consists of two runs - a parallel and a serial one.
+
+### MPI Run
+- Take the kkrflex_* files and the converged potential from step 3, along with `shapefun` and [newinpsusc.dat](kkrsusc/newinpsusc.dat)
    - Take the kkrflex_* files from step 2 and modify them according to your requested impurity structure (i.e. modify the kkrflex_atominfo file). Also, get the converged potential file from step 3.
    - Provide an [inpsusc.dat file](kkrsusc/inpsusc) and modify it in terms of desired basis function for the projected Green functions.
    - Run the impurity program with the runflag *KKRSUSC* or *kkrsusc* for one interation to get the wave function files (ia*.wfn).