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BoltzTraP

Description

boltztrap website

Boltzmann Transport Properties (BoltzTraP) is a program for calculating the semi-classic transport coefficients. The code uses a mesh of self-consistent band energies and is interfaced to the WIEN2k, AB-INIT, SIESTA, VASP and QuantumEspresso programs.

Environment Modules

Run module spider boltztrap to find out what environment modules are available for this application.

Environment Variables

  • HPC_BOLTZTRAP_DIR - installation directory
  • HPC_BOLTZTRAP_BIN - executable directory

Citation

If you publish research that uses boltztrap you have to cite it as follows:

Madsen, G. K. H., & Singh, D. J. (2006). BoltzTraP: A code for calculating band-structure dependent quantities. Computer Physics Communications, 175(1), 67–71. https://doi.org/10.1016/j.cpc.2006.03.007

Categories

physics