BoltzTraP

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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.

Required Modules

Serial

  • boltztrap

System Variables

  • HPC_BOLTZTRAP_DIR - installation directory




Citation

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

Madsen, G. K. H.*; Singh, D. J. Comput. Phys. Commun. 2006 175, 67