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