kkrsusc/perform.md

@@ -34,11 +34,11 @@ program.
 
 ### 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).
-   - Copy each susc*.pot file to a corresponding susc*.scf file
-
+   - Modify [newinpsusc.dat](kkrsusc/newinpsusc.dat) with the preferred parameters. Make sure that the system specific parameters match the information in the kkrflex_* files. 
+   - In the parallel run, the code projects the Green function to a new basis, so that the radial dependence is separated from the energy dependence. This process can be done in parallel, so as to increase efficiency that's why the code can be run in mpi.
+   - For this run set `lhdio=T` and 'lrestart=F'. In the `config.cfg` file set the run flag *KKRSUSC* for one iteration and run the parallel executable.
+   - After it's completed, a plethora of files will be written out, which will be read-in by the serial run. The main one is `outsusc.dat` which contains all the information from `newinpsusc.dat` as well as the coefficients of the projection.
+   
 ## Step 5: Calculate susceptibility, self-energy, and renormalized spectrum
 
  - Provide an [input.selfe file](kkrsusc/input_selfe) for each applied magnetic field (they should have the same parameters for the computational performance) as well as the {{:kkrsusc:lebedev_ascii.gga.tar.gz|lebedev_ascii.gga file}}{=mediawiki}.