kkrcode Program
- Philipp Ruessmann, Bernd Zimmermann, Phivos Mavropoulos, R. Zeller, and many others ...
-
- 577 statements
- Source File
Uses
-
- memoryhandling
- mod_main2
- mod_constants
- mod_main1b
- global_variables
- mod_wunfiles
- mod_runoptions
- mod_main0
- mod_main1a
- mod_timing
- mod_mympi
- mod_types
- mod_main1c
- mod_profiling
- mod_version_info
- mod_save_wavefun
The JM-KKR code is a Density Functional Theory software package, based on the Green function Korringa-Kohn-Rostocker approach. The package allows the calculation of 3D and 2D systems, as well as the determination of the needed parameters for the calculation of impurities and nanoclusters (KKRImp code). The code has also been modified to produce the needed information for the treatment of TD-DFT calculations based in the linear response approach (KKRSusc code). Category: KKRhost, profiling, communication
Variables
| Type | Attributes | Name | Initial | |||
|---|---|---|---|---|---|---|
| integer | :: | i_stat | ||||
| integer | :: | i_all | ||||
| character(len=3) | :: | ctemp |