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Re: [abinit-forum] Re: PAW molecular dynamics


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  • From: "Nuno A. G. Bandeira" <nuno.bandeira@ist.utl.pt>
  • To: forum@abinit.org
  • Subject: Re: [abinit-forum] Re: PAW molecular dynamics
  • Date: Tue, 27 Sep 2005 16:09:56 +0100

marc.torrent@cea.fr wrote:

This is a bug in v4.6.3: mkmem=0 is not compatible with PAW.
You have to wait for v4.6.4 (to be released this week).
There are other corrections for PAW in this future release.

Thanks for your help. By the way this page on your site http://www.abinit.org/package/ lists the several versions of the code but 4.6.3 is linked to 4.6.2 (http://www.abinit.org/package/?text=4_6_2) and not 4.6.3 for which you manually have to change to 4_6_3

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
--


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