0.9.5
Released 12 of November 2018.
Contributors
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
Pull requests merged
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