[Pw_forum] normal modes visualization

Giuseppe Mattioli giuseppe.mattioli at mlib.ism.cnr.it
Fri Oct 21 16:28:28 CEST 2011


Emine, of course...

> On Thursday 20 October 2011 13:17:29 Emine Kucukbenli wrote:
> > Ciao Giuseppe,
> >
> > Yes there is a small program that does that : dynmat.x
> > Call it like this:
> > $espresso_dir/bin/dynmat.x
> >
> > then feed this one line input (no need for a separate input file)
> > &input fildyn='yourfile' /
> >
> > it produces dynmat.axsf where the normal modes are represented as
> > forces in xcrysden,
> > an animated xsf file, one frame per mode.
> >
> > xcrysden --axsf dynmat.axsf
> >
> > This is how it was working last time i checked, i dont think anything
> > has changed..
> > emine kucukbenli, phd student, sissa, italy
> >
> > ps: after writing i remembered this:
> > http://people.sissa.it/~degironc/QE-Tutorial/tutorial_phon.htm
> > check the "Phonons at Gamma point" section - last bit.
> >
> > Quoting giuseppe.mattioli at mlib.ism.cnr.it:
> > > Dear all
> > > Does anybody know if there is any post-processing tool which allows
> > > one to visualize normal modes calculated with phonon.x or phcg.x in
> > > real space, as, for instance, ion displacement movies to be opened
> > > with xcrysden or xmakemol?
> > > Thank you in advance
> > >
> > > Giuseppe
> > >
> > > Giuseppe Mattioli
> > > ISM-CNR
> > > Italy
> > >
> > >
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> >
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   CNR - ISTITUTO DI STRUTTURA DELLA MATERIA   
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