[Pw_forum] Phonon negative Frequency

[David Foster]

Hi1- Use parallel version2- A bad converged structure (with low threshold) may give large negative phonons.3- Use very tight SCF convergence


Regards
 
 David 

    On Wednesday, November 29, 2017, 10:42:44 AM GMT+3:30, 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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