Skip to Content.
Sympa Menu

forum - [abinit-forum] cell optimization

forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

[abinit-forum] cell optimization


Chronological Thread 
  • 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



Archive powered by MHonArc 2.6.16.

Top of Page