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Manuscript Title: Gilat-Raubenheimer method for k-space integration.
Authors: A. Simunek
Program title: GRINT
Catalogue identifier: AAPC_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 20(1980)349
Programming language: Fortran.
Computer: ICL 4-72.
Operating system: MULTIJOB ICL 4-72.
RAM: 22K words
Word size: 8
Keywords: K-space, Density of states, Solid state physics, Liquid.
Classification: 7.3.

Nature of problem:
Integrals over k-space which include a Dirac delta-function may be calculated by this subroutine GRINT. The procedure represents the results (density of states, optical spectra, phonon spectra and other distribution functions) by means of a one-dimensional array DSF.

Solution method:
The k-space is divided into a large number of cubes. The integral over k-space is transformed to an integral over surfaces of constant energy, and in each of the small cubes the actual energy surface in the cube is replaced by a plane. Linear expansion of the energy around the cube centre using the gradient of energy at the cube centre is employed.

Running time:
9 CPU (33 s) for the test run (GRINT is called 30**3 times).