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From: Takeshi NISHIMATSU <t_nissie@yahoo.co.jp>
To: forum@abinit.org
Subject: Re: [abinit-forum] A question about chkorthsy
Date: Mon, 25 Jan 2010 14:09:25 +0900 (JST)
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Hi,

> spgroup 167
> acell 3*10.69145431540598
> angdeg 3*60

Maybe, you should use hexagonal axes,
not rhombohedral axes. Please see ITC and
http://www.abinit.org/documentation/helpfiles/for-v5.8/input_variables/vargeo.html#spgaxor

Good luck,
--
Takeshi Nishimatsu
http://loto.sourceforge.net/feram/
Fast MD program for perovskite-type ferroelectrics

[abinit-forum] A question about chkorthsy, Pwscf Abinitio, 01/25/2010
- Re: [abinit-forum] A question about chkorthsy, Takeshi NISHIMATSU, 01/25/2010