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Yes, it does not affect the final results.
<div class="">marco</div>
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<span style="font-size: 12px;" class="">Marco Buongiorno Nardelli, PhD <br class="">
<i class="">University Distinguished Research Professor</i><br class="">
Physics, Chemistry and <br class="">
iARTA, Initiative for Advanced Research in Technology and the Arts<br class="">
University of North Texas <br class="">
<a href="http://ermes.unt.edu" class=""><font color="#8e000b" class="">http://ermes.unt.edu</font></a></span></div>
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<span style="font-size: 12px;" class=""><a href="http://www.materialssoundmusic.com" class=""><font color="#8e000b" class="">http://www.materialssoundmusic.com</font></a></span></div>
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<blockquote type="cite" class="">
<div class="">On Oct 28, 2016, at 9:03 AM, Andrea Dal Corso <<a href="mailto:dalcorso@sissa.it" class="">dalcorso@sissa.it</a>> wrote:</div>
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<div class="">In any case it affects only the phonon calculation in which the<br class="">
interatomic force constants are calculated via the finite displacement<br class="">
method, not the standard phonon calculation where the interatomic force<br class="">
constants are calculated from the dynamical matrices. It is a recent<br class="">
addition to the routine.<br class="">
<br class="">
Andrea<br class="">
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<br class="">
On Fri, 2016-10-28 at 15:17 +0200, Paolo Giannozzi wrote:<br class="">
<blockquote type="cite" class="">The only thing that is affected is the normalization of vector q. I am not<br class="">
sure and cannot check right now, but I do not think it affects the final<br class="">
results. Paolo<br class="">
<br class="">
Il 28/ott/2016 01:48 PM, "Nicola Marzari" <<a href="mailto:nicola.marzari@epfl.ch" class="">nicola.marzari@epfl.ch</a>> ha<br class="">
scritto:<br class="">
<br class="">
<blockquote type="cite" class="">On 28/10/2016 13:46, Nicola Marzari wrote:<br class="">
<blockquote type="cite" class="">On 28/10/2016 06:56, Paolo Giannozzi wrote:<br class="">
<blockquote type="cite" class="">Thank you. The bug you mention is fixed in v6<br class="">
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Paolo<br class="">
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Ciao Paolo,<br class="">
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ma mi pare un bug serissimo, anche se inadvertent - o mi sbaglio?<br class="">
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nic<br class="">
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Sorry - it was meant for Paolo's eyes only...<br class="">
<br class="">
nicola<br class="">
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--<br class="">
----------------------------------------------------------------------<br class="">
Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL<br class="">
Director, National Centre for Competence in Research NCCR MARVEL, EPFL<br class="">
<a href="http://theossrv1.epfl.ch/Main/Contact" class="">http://theossrv1.epfl.ch/Main/Contact</a>
<a href="http://nccr-marvel.ch/en/project" class="">http://nccr-marvel.ch/en/project</a><br class="">
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<br class="">
-- <br class="">
Andrea Dal Corso Tel. 0039-040-3787428<br class="">
SISSA, Via Bonomea 265 Fax. 0039-040-3787249<br class="">
I-34136 Trieste (Italy) e-mail: <a href="mailto:dalcorso@sissa.it" class="">
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