[Pw_forum] phonon instability

[bhabya sahoo]

i am doing the linear response calculation
so how can i do frozen phonon calculation


On Wed, Aug 24, 2011 at 10:54 PM, Mike Mehl <Michael.Mehl at nrl.navy.mil>wrote:

> To keep from boring everyone, I'm taking this off-line.  If anyone else
> wants to participate in the discussion please let me know and I'll add
> you to the conversation.
>
> On 08/24/2011 01:07 PM, bhabya sahoo wrote:
> > ok but i have seen many papers that this B2 unstability due to some
> > anaharmonic contributions
> > or it may be due to band closing phenomenon
> > can u explain this more correctly because i am doing calculation on
> > transition metal carbides
> > On Wed, Aug 24, 2011 at 9:01 PM, Mike Mehl <Michael.Mehl at nrl.navy.mil
> > <mailto:Michael.Mehl at nrl.navy.mil>> wrote:
> >
>
> --
> Michael J. Mehl
> Head, Center for Computational Materials Science
> Naval Research Laboratory Code 6390
> Washington DC
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