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- From: "Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>
- To: Abinit forum <forum@abinit.org>
- Subject: coordinates
- Date: Fri, 10 Aug 2007 23:11:00 +0100
Hello all,
Does anyone know if abinit can print out the geometry displacements of the coordinates in a phonon spectrum calculation ?
Just so the frequencies can be assigned to stretching/twisting of bonds etc.
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
--
- coordinates, Nuno A. G. Bandeira, 08/11/2007
- Re: [abinit-forum] coordinates, Xavier Gonze, 08/11/2007
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