The KKRSusc program is interfaced with an older version of KKRImp. In the code package, the source code for that version of KKRImp is included along with the separate susceptibility solver. Both the solver and the impurity code have to be compiled for KKRSusc to work.
# Prepare for running the KKRsusc program
## Source code for KKRsusc program
## Source code for KKRsusc program
### Common code version
### Common code version
*[Download recent code package](kkrsusc/download)
*[Download recent code package](kkrsusc/download)
### Compile
### Compile solver
After you unzipped the tar-file to a folder SUSC_CODE_DIRECTORY, you
are able to generate a standard executable (kkrselfe.x) by typing:
First unzip the tar-file. Inside the resulting folder, you will find the solver_module_v2 and SOURCE directories. The solver has to be compiled first. Enter the solver directory and create a directory /obj
```
$ mkdir obj
[USER@SOMEWHERE SUSC_CODE_DIRECTORY]$ make
```
Then compile the code with:
at your terminal.
$make
Type *make debug* to create a (slower) version that does additional
This will prepare the solver files to be interfaced with KKRImp.
checks (e.g. to trace back bugs etc.).
### Compile KKRIMP
Type *make clean* to delete all object and module files.
For KKRSusc, two different versions of the code are needed, one compiled in parallel and one in serial. For that reason create two folders by coping /SOURCE to /SOURCE_MPI and /SOURCE_SERIAL (the names do not matter).
Type *make cleanx* to delete all object and module files as well as all executables (\*.x).
Enter SOURCE_MPI and link /obj from the solver directory to mod_obj using:
$ ln -s ../solver_module_v2/obj mod_obj
## Main files
Then compile the code with:
*[inpsusc.dat](kkrsusc/inpsusc)
$make mpi
*[outsusc.dat](kkrsusc/outsusc)
*[input.selfe](kkrsusc/input_selfe)
Do the same for SOURCE_SERIAL but use :
$ make
## Special files
for the compilation. Done!
*[excorr.krnl](kkrsusc/excorr_krnl) (contains the [exchange and correlation Kernel](exchange_and_correlation_Kernel))
```
*[gridpoints_dsusc.dat](kkrsusc/gridpoints_dsusc) (contains the grid points for the susceptibility fit)
[USER@SOMEWHERE SUSC_CODE_DIRECTORY]$ make
*[run.iff402](kkrsusc/run.iff402) (script for the cluster iff402 that performs the monkey work for you)
```
at your terminal.
Type *make debug* to create a (slower) version that does additional
checks (e.g. to trace back bugs etc.).
Type *make clean* to delete all object and module files.
Type *make cleanx* to delete all object and module files as well as all executables (\*.x).
## Main files
*[inpsusc.dat](kkrsusc/inpsusc)
*[outsusc.dat](kkrsusc/outsusc)
*[input.selfe](kkrsusc/input_selfe)
## Special files
*[excorr.krnl](kkrsusc/excorr_krnl) (contains the [exchange and correlation Kernel](exchange_and_correlation_Kernel))
*[gridpoints_dsusc.dat](kkrsusc/gridpoints_dsusc) (contains the grid points for the susceptibility fit)
*[run.iff402](kkrsusc/run.iff402) (script for the cluster iff402 that performs the monkey work for you)
