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