[Pw_forum] Phonon negative Frequency

[Isaiah Moses]

Dear Suresh,
I doubt if there is any way you can know if you'll have negative frequency
while the calculation is on.
However you can take note of some of the information in phonon user's guide
on how to avoid negative frequency.

Also, you can do a test run with a single q-point splitted among irreps in
order to save your time and computational resources.
Check example on how to split phonon calculation in case you are not
familiar with that.

All the best,
Isaiah.

On Wed, Nov 29, 2017 at 6:24 AM, Suresh A <suresh2007pgp19 at gmail.com> wrote:

> Dear All,
>              I am ran phonon calculation for anatase previously and got
> negative frequencies. I was install QE-5.2.0 in serial mode and took days
> to finish the calculation in my desktop.
>
> Is there any way to know the negative frequency before the calculation
> ends? So that the time can be saved.
>                                  Thank You
>
>                  Yours Sincerly,
>
> A.Suresh,
> Research Scholar,
> School of Physics,
> Madurai Kamaraj University,
> Madurai.
>
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>



-- 
Isaiah Abu Moses
Graduate Student,
Physics Department,
University of Ibadan,
Nigeria
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