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 <[email protected]> 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 > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- 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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