[Pw_forum] calculating lambda for a phonon band structure with imaginary frequencies
baroni at sissa.it
Sun Dec 9 19:41:03 CET 2007
On Dec 9, 2007, at 2:27 PM, Guoying Gao wrote:
> On Dec 9, 2007 9:06 PM, Stefano Baroni <baroni at sissa.it> wrote:
>> Imaginary frequencies are usually a sign of a mechanical
>> instability, as
>> discussed many times in this forum as well as in many condensed-
>> textbooks. I think the answer is yours: if you want to calculate the
>> electron-phonon interaction of an instable (possibly metastable)
>> phase of a
>> material, please do. If instead instability is soemething that
>> troubles you,
>> then you better settle your troubles first. Cheers - SB
> Hi Stefano,
> Thanks for your reply.
> I know the imaginary frequencies signifying a mechanical
> instability, but I want to know whether we can calculate it or not and
> is it meanful to do this?
as said, I think that only you can be the judge
> We just want to estimate the values of Tc.
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> Pw_forum at pwscf.org
Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center -
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