[Pw_forum] phonon instability

Mike Mehl Michael.Mehl at nrl.navy.mil
Wed Aug 24 19:24:48 CEST 2011

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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