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, SIESTA, VASP 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 README.pdf file, the paper and two examples (CoSb3, Bi2Te3).
Most recent update:
May 25 2012:
V1.2.2. Interfaces to VASP and QuantumEspresso.
