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amset

AMSET is a tool to calculate carrier transport properties from ab initio calculation data

0.5.1
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amset

AMSET is a package for calculating electronic transport properties from first-principles calculations.

  • Website (including documentation): https://hackingmaterials.lbl.gov/amset/
  • Help/Support: https://discuss.matsci.org/c/amset
  • Source: https://github.com/hackingmaterials/amset

If you find AMSET useful, please consider citing our paper:

Ganose, A. M., Park, J., Faghaninia, A., Woods-Robinson, R., Persson, K. A., Jain, A.
Efficient calculation of carrier scattering rates from first principles.
Nat. Commun. 12, 2222 (2021)

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Keywords

mobility conductivity seebeck scattering lifetime rates dft vasp

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