[Pw_forum] Phonon negative Frequency

[Ari P Seitsonen]

Dear Suresh,

   Adding to the comment of Isaiah, did you check the FAQ?
http://www.quantum-espresso.org/faq/phonons/#7.3

     Greetings,

        apsi

PS Why running in serial...? I guess basically any CPU nowadays has at 
least two cores.

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
     Ecole Normale Supérieure (ENS), Département de Chimie, Paris
     Mobile (F) : +33 789 37 24 25    (CH) : +41 79 71 90 935


On Wed, 29 Nov 2017, Isaiah Moses wrote:

> 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.
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
> 
> 
> 
> 
> --
> Isaiah Abu Moses
> Graduate Student,
> Physics Department,
> University of Ibadan,
> Nigeria
> 
>