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- From: Anurag Chaudhry <anuragchaudhry@yahoo.co.uk>
- To: forum@abinit.org
- Subject: [abinit-forum] k-points for bandstructure
- Date: Sun, 15 Feb 2009 07:55:25 +0000 (GMT)
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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
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
- [abinit-forum] ABINIT GUI, Quan Phung Manh, 02/14/2009
- Re: [abinit-forum] ABINIT GUI, 6671011, 02/14/2009
- Re: [abinit-forum] ABINIT GUI, Xavier Gonze, 02/15/2009
- [abinit-forum] k-points for bandstructure, Anurag Chaudhry, 02/15/2009
- Re: [abinit-forum] k-points for bandstructure, Marty Blaber, 02/15/2009
- Re: [abinit-forum] k-points for bandstructure, Hana Milani, 02/15/2009
- Re: [abinit-forum] k-points for bandstructure, Marty Blaber, 02/15/2009
- [abinit-forum] k-points for bandstructure, Anurag Chaudhry, 02/15/2009
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