The ABINIT Users Mailing List ( CLOSED )

[David Vanderbilt <dhv@physics.rutgers.edu>]

Nuno,

I think it's best to move this off the forum.  I'll respond directly.
If anybody else out there is interested in following the story, let
me or Nuno know, and we'll cc to you.

                                        David V.

On Mon, 12 Sep 2005, Nuno A. G. Bandeira wrote:

> David Vanderbilt wrote:
>
> >  But it is strange if
> > an improper combination was contributed in
> > Work/079-Au/079-Au-ca--ts/, as these are normally tested before
> > they are contributed.  Did you use what was there without any
> > modification?  If so, you may wish to check with the author (see
> > the README in that directory) to see if there is a known problem
> > with it.
>
> The file was used without any changes and it's attached to this email. It's 
> also what comes packed with 4.6.3. Could you check in your records to see if 
> it's identical and/or if you have a full-length output ?
>
> Thanks for your help.
>
> --
> 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
> --