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Re: [abinit-forum] Need help.


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  • From: Xavier Gonze <gonze@pcpm.ucl.ac.be>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Need help.
  • Date: Thu, 01 Jul 2004 09:28:33 +0200

Yongting Ma wrote:
Dear all abinitors:
I want to know the parameter ngkpt nkpt kptrlatt clearly.
can you give me some papers about that.
Thank you.


Please, have a look at the ABINIT bibliography file,
for example
http://www.abinit.org/ABINIT/Infos_v4.3/bibliography.html

* The Monkhorst and Pack grids
H.J. Monkhorst and J.D. Pack, Phys. Rev. B 13, 5188 (1976)
* Discussion of k points for the FHI98MD code :
http://www.fhi-berlin.mpg.de/th/fhi98md/doc/main/node15.html

Although the way k points are specified in ABINIT is different
from the one of FHI98MD code, the latter link might help you
to understand ...

Xavier Gonze



  • Re: [abinit-forum] Need help., Xavier Gonze, 07/01/2004

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