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["Allan, Douglas C Dr" <AllanDC@Corning.com>]

Also try Evarestov and Smirnov Phys. Stat. Sol. (b) 119, 9-40 (1983).  This 
gives a good physical interpretation of special points as a kind of 
supercell.  In any event it is a quadrature grid for integrating functions 
that are periodic in reciprocal space.  The success of any grid will depend 
on your tolerance for error and on the details of the integral you are 
performing.  You can interpret the quality of the grid as a kind of supercell 
size or radial range, but the details will depend on the integral being 
performed.

-----Original Message-----
From: Fotios Nastos [mailto:nastos@physics.utoronto.ca] 
Sent: Thursday, September 04, 2003 8:37 AM
To: forum@abinit.org; mkosmows@syr.edu
Subject: Re: [abinit-forum] references for k and q points


> Could anyone please provide references from which to learn more about 
> k and q points? I have the original Monkhorst and Pack paper, and am 
> hoping to gain a more intuitive understanding of how these parameters 
> affect calculations.

When I first started, I found the discussion of special k-points in "Solid 
State Physics" by Grosso and Parravicini (Chapter 2, Section 6.4) to be 
useful.  Of course, your mileage may vary.