Yambo version 5.2 is now ready for production
This new version include many stabilization, further refining the code structure and modularization, and improving performance and memory usage. Yambo 5.2 is a production version:
Below is a detailed list of changes:
GW
- multi-plasmon pole approximation coded.
For details see: Phys. Rev. B 104, 115157 (2021)
BSE
- Improved IO performances using chunking in HDF5
(This enhancement of the performances will be extended also to other databases)
Dipoles
- When computing overlaps, needed for covariant dipoles, wave-functions are now loaded in pair of k-points.
This significantly reduced the memory usage.
Real time/Non-linear
- Improved IO performances for collisions using chunking in HDF5
- Strong memory usage reduction in non-linear optics calculations yambo_nl
Fixes
- Fixed different compilation issues with nvfortran
- Fixed bug in yambo_nl with openMP parallelization
- Fixed compilation with intel2023
Other changes
- Eigenvalues Self-consistent GW (evGW) removed from fortran code. It can be performed via concatenated runs (see evGW wiki )
- Ypp can now plot spin and magnetization factors
- Automatic configuration of HDF5 libraries