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Re: [abinit-forum] Convergence checking on tsmear + tphysel

From: Matthieu Verstraete <mjv500@york.ac.uk>
To: forum@abinit.org
Subject: Re: [abinit-forum] Convergence checking on tsmear + tphysel
Date: Sun, 1 Apr 2007 21:39:48 +0100 (BST)

Last mea culpa for the evening: in my previous mail, the free energy should have been _decreasing_ with tsmear. The internal energy term increases but F=E-TS decreases.

Cheers

Matthieu

--
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Dr. Matthieu Verstraete mailto:mjv500@york.ac.uk
Dept. of Physics, University of York, tel: +44 1904 43 22 08
Heslington, YO10 5DD York, United Kingdom fax: +44 1904 43 22 14

Re: [abinit-forum] Convergence checking on tsmear + tphysel, Matthieu Verstraete, 04/01/2007