BoltzTraP

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

A paper about the code has been published and must be cited if the program is used:
Madsen, G. K. H.*; Singh, D. J. Comput. Phys. Commun. 2006 175, 67

Download (v1.2.5):
The distribution contains the program, a manual and four examples (Al, LiZnSb, CoSb₃, Bi₂Te₃).

News:

August 31 2017
BoltzTraP2 will be presented at the Wien2k workshop taking place September 18-22  in Vienna. BoltzTraP2 has been rewritten from scratch in Python and C++ for more flexibility and includes several new features.

April 11 2017
BoltzTraP moved to Vienna. Interesting things to come.

BoltzTraP endorses almaBTE