main1a Subroutine
- Philipp Rüssmann, Bernd Zimmermann, Phivos Mavropoulos, R. Zeller,
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- 114 statements
- Source File
public subroutine main1a()
Uses
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- mod_interpolate_poten
- mod_runoptions
- mod_constants
- mod_initldau
- mod_tbref
- mod_jijhelp
- mod_mympi
- mod_tmatnewsolver
- global_variables
- mod_datatypes
- mod_types
- mod_wunfiles
- mod_getscratch
- mod_profiling
- mod_main0
- mod_calctmat
and many others ... Category: single-site, potential, KKRhost Deprecated: False Main subroutine for the calculation of the t-matrix
Calls routines that compute singe-site wavefunctions and t-matrices. Two modes are impleneted for old (Born-iteration) solver without SOC or non-collinear magnetism and new solver (Chebychev mesh) working with larger spin-coupled matrices for SOC.
Note
PR: The BdG solver will only be impleneted with the newsolver for the moment.