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Manuscript Title: BoltzTraP. A code for calculating band-structure dependent quantities.
Authors: Georg K. H. Madsen, David J. Singh
Program title: BoltzTrap
Catalogue identifier: ADXU_v1_0
Distribution format: tar.gz
Journal reference: Comput. Phys. Commun. 175(2006)67
Programming language: Fortran90.
Computer: The program should work on any system with a F90 compiler. The code has been tested with the Intel Fortran compiler.
Operating system: Unix/Linux.
RAM: Up to 2 Gbytes for low symmetry, small unit cell structures
Keywords: Boltzmann theory. Conductivity. Hall effect. Thermopower. Fourier expansion.
PACS: 71.20.-b, 72.10.-d.
Classification: 7.9.

External routines: The LaPack and Blas libraries are needed.

Nature of problem:
Analytic expansion of energy-bands. Calculation of semi-classic integrals

Solution method:
Smoothed Fourier expansion of bands

Running time:
Up to 3 hours for low symmetry, small unit cell structures