Dear researcher
Please suggest me where we get BotzTrap2 tar file for Linux because I have need BoltzTrap2 for calculation of thermoelectric properties of material
If you can't install via pip (simply "pip install BoltzTraP2"), the source can be downloaded from https://gitlab.com/sousaw/BoltzTraP2
Installing from source may be slightly more difficult.
Dear Jyri Kimari,
Project description
BoltzTraP2 provides a numerically stable and efficient method for obtaining analytic representations of electronic bands based on density-functional-theory results for relatively sparse grids. It achieves this goal by using smoothed Fourier interpolation.
BoltzTraP2 can be used as a Python module or as a standalone command-line program. One of its most frequent use cases involves determining the Onsager electronic transport coefficients by direct integration over the Brillouin zone based on the interpolated band structure, as functions of temperature and chemical potential. This functionality is easy to access in BoltzTraP2, which also includes many additional features for band-structure analysis, such as a 3D viewer of the Fermi surface.
The program and the method are described in detail in the following reference: G. Madsen, J. Carrete & M. J. Verstraete, Comput. Phys. Commun.
Here it is:
https://pypi.org/project/BoltzTraP2/
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https://www.researchgate.net/post/How-to-install-and-run-Boltztrap-125-freely-downloadable-from-internet
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