/ctetra

Implementation of the tetrahedron method for Brillouin zone summation - designed to minimize memory use

Primary LanguageCMIT LicenseMIT

An implementation of the tetrahedron method for Brillouin zone summation, as described in: Blöchl, Jepsen, and Andersen, PRB 49, 16223 (1994). This paper is referred to in the documentation of this package as 'BJA94'.

Dependencies

Requires the GNU Scientific Library. To obtain on recent Debian-based distributions:

sudo apt-get install libgsl-dev

On older versions of Debian-based distributions, use:

sudo apt-get install libgsl0ldbl libgsl0-dev

Acknowledgement

The implementation of the tetrahedron method in Quantum ESPRESSO was consulted during the development of this implementation in order to clarify understanding of the method and to help verify correctness.