Amset

Latest version: v0.5.0

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0.5.0

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](https://github.com/hackingmaterials/amset/pull/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](https://hackingmaterials.lbl.gov/amset/inputs/#dielectric-constants-piezoelectric-constants-and-polar-phonon-frequency). Thanks to Sara Shivalingam Goud for providing this feature ([PR 931](https://github.com/hackingmaterials/amset/pull/931), Shiva-sslg).

0.4.22

Fix deformation potentials with spin-polarised materials.

0.4.21

Fix compatbility with spglib.

0.4.20

Fix intermittent casting bug.

0.4.19

Fix numpy deprecations.

0.4.18

- Fix issue with interpolation package [657](https://github.com/hackingmaterials/amset/pull/657)
by [lizhenzhupearl](https://github.com/lizhenzhupearl).
- `eff-mass` can now be run on vaspruns without orbital projections.

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