Content:

Boltztrap

 

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, SIESTAVASP and QuantumEspresso programs.

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

The BoltzTraP distribution contains the program, a manual and four examples (Al, LiZnSb, CoSb3, Bi2Te3).

Most recent update:

Jan 7 2014
V1.2.5. Fixed BoltzTraP.def file so that the tests work.

July 1 2013:
V1.2.3. Fixed carrier concentration (Matthieu Verstrate) and reading of momentum matrix elements (Lasse Bjerg) are documented.