BoltzTraP
Revision as of 16:19, 10 June 2022 by Israel.herrera (talk | contribs)
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.
Environment Modules
Run module spider boltztrap to find out what environment modules are available for this application.
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