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<p>Ah ok thanks for the information!</p>
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<div id="x_divRplyFwdMsg" dir="ltr"><font face="Calibri, sans-serif" color="#000000" style="font-size:11pt"><b>From:</b> Lorenzo Paulatto <paulatz@gmail.com> on behalf of Lorenzo Paulatto <lorenzo.paulatto@impmc.upmc.fr><br>
<b>Sent:</b> 27 March 2017 10:01:00<br>
<b>To:</b> pw_forum@pwscf.org<br>
<b>Cc:</b> Louis Fry-Bouriaux<br>
<b>Subject:</b> Re: [Pw_forum] Phonon axsf does not move in XCrysden</font>
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<div class="PlainText">On Monday, March 27, 2017 10:18:08 AM CEST Louis Fry-Bouriaux wrote:<br>
> Hi Xu Huang,<br>
> <br>
> <br>
> All I know is there is a similar question to this on the forum asked<br>
> recently: Lorenzo Paulatto answered the following:<br>
> <br>
<br>
This is actually is a completely different issue, I met it myself some time <br>
ago. <br>
<br>
The problem is that the axsf file does contain the displaced positions¹ but <br>
xcrysden does not display them. It is an xcrysden bug and I recommed you ask <br>
to the xcrysden mailing list², but there is a chance Tone will read this <br>
message here and he may have an answer.<br>
<br>
<br>
[1] Even if in DFPT the atoms are not physically displaced, we can find the <br>
displacement patters along which they would move (with amplitude a function of <br>
the temperature), that's what is saved in the axsf file, the displacement <br>
length set to an arbitrary value.<br>
<br>
[2] <a href="http://www.democritos.it/mailman/listinfo/xcrysden">http://www.democritos.it/mailman/listinfo/xcrysden</a><br>
<br>
-- <br>
Dr. Lorenzo Paulatto <br>
IdR @ IMPMC -- CNRS & Université Paris 6<br>
phone: +33 (0)1 442 79822 / skype: paulatz<br>
www: <a href="http://www-int.impmc.upmc.fr/~paulatto/">http://www-int.impmc.upmc.fr/~paulatto/</a><br>
mail: 23-24/423 Boîte courrier 115, 4 place Jussieu 75252 Paris Cédex 05<br>
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