This is the improved version of WanTiBexos code,
see A.C. Dias, J.F.R.V. Silveira, F. Qu "WanTiBEXOS: A Wannier based Tight Binding code for electronic band structure, excitonic and optoelectronic properties of solids" Comp. Phys. Comm., 285, 108636 (2022) DOI
See also WanTiBexos Docs
The code adapted for GNU compiler:
- removed tabs;
- corrected formats;
- fixed problems with open/close units.
What's new:
- the MKL solver for Bethe-Salpeter equation was replaced by MPI+GPU paralel solver from the Scalable Library for Eigenvalue Problem Computations (SLEPc)
The calculation time for Example-3 is reduced from 680 s using MKL solver to 3 s using SLEPc solver on 64 cores.
How to install the code see README.md in src folder