Released 12 of November 2018.
A total of 2 people contributed to this release. People with a "+" by their names contributed a patch for the first time.
- Nick Papior
- Thomas Frederiksen
A total of 2 pull requests were merged for this release.
- #82: Introduced option for berry_phase(...) to not close the integration...
- #84: Zak phase from closed-loop integration
- Fixed temperature for phonon output pht*nc files
- Added tbtprojncSileTBtrans sile for analyzing projected transmissions
- Removed deprecated dhSileTBtrans
- Bug fix for binary grid files with Siesta and also reads using fdf-files
- Changed default self-energy eta values to 1e-4 eV
- Added Zak-phase calculations (thanks to T. Frederiksen)
- Updated lots of State methods
- added Bloch expansion class which can expand any method
- self-energy calculations:
- Much faster
- enabled left/right self-energies in one method
- fixed AtomicOrbital copies
- enabled TSGF reads
- Added noise-power calculations for TBT.nc files
- Fixed TBT.SE.nc files, units and scattering matrix retrieval
- added more VASP files