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<DIV>Hi <BR>Try to increase de % of change in the Volume (try to go above
7.5 %). Maybe you are still far of the minimum. <BR>If your equilibrium
volume is far from the one that you expect to arrive, please check your initial
crystal parameters. <BR>Regards</DIV>
<DIV> </DIV>
<DIV>-------------------------------------------------------------------------<BR>-----
Ing. Quím. Ricardo Faccio</DIV>
<DIV> </DIV>
<DIV>Mail: Cryssmat-Lab., Cátedra de Física, DETEMA<BR>Facultad de Química,
Universidad de la República<BR> Av. Gral. Flores 2124,
C.C. 1157<BR> C.P. 11800, Montevideo,
Uruguay.<BR>E-mail: <A
href="mailto:rfaccio@fq.edu.uy">rfaccio@fq.edu.uy</A><BR>Phone: 598 2 9241860
Int. 109<BR> 598 2
9290705<BR>Fax: 598 2 9241906<BR>Web: <A
href="http://cryssmat.fq.edu.uy/ricardo/ricardo.htm">http://cryssmat.fq.edu.uy/ricardo/ricardo.htm</A></DIV>
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<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=soran.nabavi@gmail.com href="mailto:soran.nabavi@gmail.com">soran
nabavi</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A
title=wien@zeus.theochem.tuwien.ac.at
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A>
</DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Sunday, June 25, 2006 3:54 AM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> [Wien] optimization</DIV>
<DIV><BR></DIV>
<DIV>Dear wien2k user</DIV>
<DIV>I work on a magnetic compound that its magnetic ion is gadolinium.<BR>In
optimization of one of Gd compounds that its data is experimentally data<BR>I
don't have any minimum point in E_V when we optimize with -7.5%, -5% ,0% ,5% ,
7.5% of volume. </DIV>
<DIV>I have a nearly straight line that we have expected the curve with
minimum point. <BR>what does it mean?<BR>best regards</DIV>
<P>
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