BoltzTraP
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Description
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_{{#uppercase: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