forum@abinit.org
Subject: The ABINIT Users Mailing List ( CLOSED )
List archive
- From: Mohua Bhattacharya <mohua.simoom@gmail.com>
- To: forum@abinit.org
- Subject: [abinit-forum] cell optimization
- Date: Wed, 3 Feb 2010 15:52:01 -0500
- Domainkey-signature: a=rsa-sha1; c=nofws; d=gmail.com; s=gamma; h=mime-version:date:message-id:subject:from:to:content-type; b=fPVSpv8IYZ5XbLlgORdzP8qgV7Ol7Vg2a2mWLomcXCtGraY2GvrAnhFb9p4V2MTmO6 XiAeWUnmqTQwsTythRg1xOKmrCZvi/8oaY/mYG4si+YBcFQkLdubeoKMB0TWB3WdUYkb EgZA58O1dGDpqAAUZDngnIDg35Xi6YMPrwJpY=
Hello,
During the optimization of a primitive mono clinic structure I get this comment that I don't understand
symanal : COMMENT -
The Bravais lattice determined only from the primitive
vectors, bravais(1)= 3, is more symmetric
than the real one, iholohedry= 2, obtained by taking into
account the atomic positions.
Could anybody please help me with this?
Thanks for your time
Mohua
- [abinit-forum] cell optimization, Mohua Bhattacharya, 02/02/2010
- Re: [abinit-forum] cell optimization, Martin Häufel, 02/02/2010
- Re: [abinit-forum] cell optimization, Mohua Bhattacharya, 02/02/2010
- Re: [abinit-forum] cell optimization, Martin Haeufel, 02/02/2010
- Re: [abinit-forum] cell optimization, Xavier Gonze, 02/02/2010
- Re: [abinit-forum] cell optimization, Martin Häufel, 02/02/2010
- Re: [abinit-forum] cell optimization, Xavier Gonze, 02/03/2010
- Message not available
- Fwd: [abinit-forum] cell optimization, matthieu verstraete, 02/03/2010
- Re: [abinit-forum] cell optimization, Martin Häufel, 02/02/2010
- Message not available
- Fwd: [abinit-forum] cell optimization, matthieu verstraete, 02/03/2010
- Re: [abinit-forum] cell optimization, Xavier Gonze, 02/02/2010
- Re: [abinit-forum] cell optimization, Martin Haeufel, 02/02/2010
- Re: [abinit-forum] cell optimization, Mohua Bhattacharya, 02/02/2010
- <Possible follow-up(s)>
- [abinit-forum] cell optimization, Mohua Bhattacharya, 02/03/2010
- Re: [abinit-forum] cell optimization, Xavier Gonze, 02/12/2010
- Re: [abinit-forum] cell optimization, Martin Häufel, 02/02/2010
Archive powered by MHonArc 2.6.16.