[QE-users] Doubt regarding the phonon calculations of RbPbI3

[Mehdi Shamekhi]

Dear Anupriya

Would you mind sharing your PHONON calculation output file? The one with
imaginary frequencies.

Kind regards,
Mehdi

On Wed, Sep 22, 2021 at 10:11 AM Anupriya Nyayban <mamaniphy at gmail.com>
wrote:

> Dear Prof. Paulatto,
>
> Thank you so much for the suggestion and I will definitely check with
> conv_thr to 1.d-12 and tr2_ph to 1.d-18.
> I have used the  experimental lattice parameters and atomic positions
> initially. The scf file (after the relaxation and convergence test) is
> attached here.
>
> Thank you!
>
> --
> With regards
> Anupriya Nyayban
> Ph.D. Scholar
> Department of Physics
> NIT Silchar
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-- 
Mehdi Shamekhi
Ph.D. Candidate in Physics
Department of Physics
Concordia University, Montreal, Quebec, Canada
*ResearchGate* <https://www.researchgate.net/profile/Mehdi_Shamekhi>
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