dynamical matrix from lammps?

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1

hi
  does anyone know of methods to get the dynamical matrix for a structure from lammps? Is anyone interested in having a method if one doesn't exist?
thanks,
Reese

2

hi
does anyone know of methods to get the dynamical matrix for a structure from lammps? Is anyone interested in having a method if one doesn't exist?

reese,

there have been discussions in the past
and i'd say that some interest does exist.

check out this external LAMMPS add-on:

http://code.google.com/p/fix-phonon/

cheers,
    axel.

3

Hello Resse,

Did you write a script for dynamic matrix in LAMMPS that you would like to share?

I will be interested if you don't mind. I am looking into using the fix phonon, but any alternative will provide more choices.

Suleiman.