Re: [Phonopy-users] ability to analyse vibrational eigenvectors

[Atsushi T. <atz...@gm...>]

Hi,

Maybe the manual helps you?
http://phonopy.sourceforge.net/vasp.html#vasp-dfpt-interface

Togo

On Mon, Jul 15, 2013 at 5:56 PM, Manuel Pérez Jigato <pe...@li...> wrote:
> Dear users
>
> I am new in using phonopy, and would like to know whether possible to use
> phonopy to identify normal vibrational modes that result from a
> VASP calculation, from either a full phonon or a gamma-phonon calculation
> using the direct method (displacements)?
>
> I do have the vasprun.xml, the POSCAR and the OUTCAR files that result as
> output of a VASP phonon calculation, in this case just gamma-point phonons,
> since I used the IBRION=5 flag (VASP flag)
>
> Is it possible using those files (I also have the DYNMAT file, which is the
> dynamical-matrix, just in case) to obtain the vibrational spectrum (even
> this is only gamma-point phonons) and identify the indepent peaks as normal
> modes to be viewed graphically using phonopy?
>
> thanks in advance
>
> Manuel Perez Jigato
>
>
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-- 
Atsushi Togo
http://atztogo.github.com/
atz...@gm...