hackingmaterials/amset v0.4.7

on GitHub

Changes:

• Default of zero_weighted_kpoints option has been changed from keep to prefer.
• acceptor_charge and donor_charge options have been merged into a single option,
  defect_charge.

Enhancements:

• Added --bands option to amset wave to allow selecting specific band ranges.

Bug fixes:

• Fixed the calculation of ionized impurity concentration in bipolar materials and for
  charge states != 1.
• Fixed the calculation of spin-orbit wave function overlaps.
• Fixed warning messages in extraction of wave function coefficients.
• Clarified phonon_frequency output.