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Re: [abinit-forum] convergence of large unit cell

From: "Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>
To: forum@abinit.org
Subject: Re: [abinit-forum] convergence of large unit cell
Date: Thu, 15 Sep 2005 10:00:33 +0100

paul.boulanger@umontreal.ca wrote:

Sorry, I see the format of the file was scrambled by the page margins. It
should be copied like;

120
angstrom
atom1 X Y Z
atom2 X Y Z
.

The xmol format you present here is much easier to read. Could the abinit developers consider using this as an alternative input format ?

regards,
--
Nuno A. G. Bandeira, AMRSC
Graduate researcher and molecular sculptor
Inorganic and Theoretical Chemistry Group,
Faculty of Science
University of Lisbon - C8 building, Campo Grande,
1749-016 Lisbon,Portugal
http://cqb.fc.ul.pt/intheochem/nuno.html
Doctoral student @ IST,Lisbon
--

Re: [abinit-forum] convergence of large unit cell, Masayoshi Mikami, 09/12/2005
- Re: [abinit-forum] convergence of large unit cell, Szieberth Denes, 09/14/2005
  - Re: [abinit-forum] convergence of large unit cell, Xavier Gonze, 09/16/2005
  - Message not available
    - Re: [abinit-forum] convergence of large unit cell, Masayoshi Mikami, 09/16/2005
- <Possible follow-up(s)>
- Re: Re: [abinit-forum] convergence of large unit cell, paul . boulanger, 09/14/2005
  - Re: Re: [abinit-forum] convergence of large unit cell, Szieberth Denes, 09/15/2005
- Re: Re: Re: [abinit-forum] convergence of large unit cell, paul . boulanger, 09/14/2005
  - Re: [abinit-forum] convergence of large unit cell, Nuno A. G. Bandeira, 09/15/2005