amset 0.3.0

v0.3.0

on Python PyPI

New features:

• cache_wavefunction option to control memory demand (see docs for more details).
• Revtex plot style support. Enabled by adding --style revtex to the end of
  plotting commands.
• Support for spin–orbit coupling.
• Support for non-Gamma centered k-point meshes.
• Ability to extract deformation potential for specific bands.
• zero_weighted_kpoints option to control processing of zero-weighted k-points
  (see the docs for more details).

Enhancements:

• Revamped lineshape plotter.
• Massive (~100x) speedup for calculating polar optical phonon frequency.
• Better handling of Fermi levels from VASP band structures.
• Speed up effective mass calculation, and cases where only basic scatterers are used.