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 <suresh2007pg...@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@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- Isaiah Abu Moses Graduate Student, Physics Department, University of Ibadan, Nigeria
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