The ABINIT Users Mailing List ( CLOSED )

[Hana Milani <hana.milani@yahoo.com>]

Please  also have a look at:

http://www.abinit.org/Infos_v5.5/input_variables/vargs.html#kptbounds

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From: Marty Blaber <martin.blaber@gmail.com>
To: forum@abinit.org
Sent: Sunday, February 15, 2009 1:21:54 PM
Subject: Re: [abinit-forum] k-points for bandstructure

Hi Anurag,

'Solid State Physics' by Ashcroft and Mermin is very good, as is 'Introduction to Solid State Physics' by Kittel. Both should give you enough information to build a Brillouin zone and determine the high symmetry points.

In the short term, here are two websites which are quite useful:
Crystal Structures
http://cst-www.nrl.navy.mil/

For reciprocal space information including special points etc, have a look at the Bilbao Crystallographic Server (look under kvec)
http://www.cryst.ehu.es/

Cheers,

Marty

2009/2/15 Anurag Chaudhry <anuragchaudhry@yahoo.co.uk>

Hello Everyone,

I was reading the documentation for the bandstructure maker utility for ABINIT.  The explanation is very useful.

However I would like to know of a web resource (or any other source like book, ...) to know the special k-points to chose for a bandstructure plot for any given crystal space group.

For some well known space groups it is very easy to find the "special k-points" however for something like space group 148 (R-3H) of YI3 how to choose the reciprocal space k-points and the spacing between them.

any suggestions are very much appreciated.

best regards,
Anurag