Amset

Latest version: v0.4.20

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0.4.8

Bug fixes:

- Fixed a number of issues in extracting deformation potentials. amset now attempts
to handle cases where the reciprocal and k-space lattices belong to difference
classes.

0.4.7

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.

0.4.6

Enhancements:

- `--stats` option added to band plotter that prints the effective masses and band
structure information.

Bug fixes:

- Fixed extracting wavefunction coefficients in systems with zero weighted k-points.

0.4.5

Enhancements:

- `--gnuplot` option added to transport plotter to allow writing the plot data to simple
text files.

0.4.4

Enhancements:

- Amset can now be run from a band_structure_data.json file. This should contain the
keys "band_structure" and "nelect".

Bug fixes:

- Improved support for spin-polarized calculations.
- Fixed projection overlaps.

0.4.3

Enhancements:

- `--n-type` and `--p-type` options added to transport, mobility, and convergence plotters.
- Power factor added to transport and convergence plotters.

Bug fixes:

- Fix for mean free path scattering (kbspooner).
- Fix for piezoelectric scattering.
- Fix for `cache_wavefunction = False` with non-SOC wavefunctions.
- Specify numba version for interoperability with interpolation package.

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