v0.5.0

This version introduces a major bugfix in the calculation of wavefunction overlaps. This can alter transport properties for systems where the band edge is located at a reciprocal zone-boundary and the dominant scattering type is from polar optical phonons. Thanks to Øven Grimenes for idenitfying this bug and contributing a fix (PR #938, @Grimenes).

A new feature has been provided to include non analytical corrections (NAC) in the calculation of the polar optical phonon frequency. More information is provided in the online documentation. Thanks to Sara Shivalingam Goud for providing this feature (PR #931, @Shiva-sslg).

v0.4.22

Fix deformation potentials with spin-polarised materials.

v0.4.21

Fix compatbility with spglib.

v0.4.20

Fix intermittent casting bug.

v0.4.19

Fix numpy deprecations.

v0.4.18

• Fix issue with interpolation package #657
  by @lizhenzhupearl.
• eff-mass can now be run on vaspruns without orbital projections.

v0.4.17

Remove unused desymmetrisation routines.

v0.4.16

AMSET dependencies are now not pinned to specific versions. This should make installing
and upgrading a bit easier. Additionally, the quadpy package has been removed as a
dependency.

v0.4.15

Bug fixes:

• Fixed extraction of polar phonon frequency for VASP 6.

v0.4.14

Bug fixes:

• Fixed extraction of deformation potentials when a deformation calculation has more
  bands than the undeformed calculation.