[Pw_forum] Phonon axsf does not move in XCrysden

[Lorenzo Paulatto]

On Monday, March 27, 2017 10:18:08 AM CEST Louis Fry-Bouriaux wrote:
> Hi Xu Huang,
> 
> 
>    All I know is there is a similar question to this on the forum asked
> recently: Lorenzo Paulatto answered the following:
> 

This is actually is a completely different issue, I met it myself some time 
ago. 

The problem is that the axsf file does contain the displaced positions¹ but 
xcrysden does not display them. It is an xcrysden bug and I recommed you ask 
to the xcrysden mailing list², but there is a chance Tone will read this 
message here and he may have an answer.


[1] Even if in DFPT the atoms are not physically displaced, we can find the 
displacement patters along which they would move (with amplitude a function of 
the temperature), that's what is saved in the axsf file, the displacement 
length set to an arbitrary value.

[2] http://www.democritos.it/mailman/listinfo/xcrysden

-- 
Dr. Lorenzo Paulatto 
IdR @ IMPMC -- CNRS & Université Paris 6
phone: +33 (0)1 442 79822 / skype: paulatz
www:   http://www-int.impmc.upmc.fr/~paulatto/
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