[Pw_forum] Could not find the mode symmetry after phonon frequency calculation of gamma point

[黄志硕]

Dear Prof. Sitangshu Bhattacharya,

Thank you for your reply. But what do you mean by ‘scf report file’? Is it the output file of scf calculation? I don’t see the symmetry information in the output file of scf calculation.

For the pseudopotential, I tested them. The consistent between the AE energy and PS energy is well as well as the logarithmic derivatives. I also tested them in band-structure calculations, and they also produced nearly the same band structures with other PPs provided by quantum espresso PP library. And the phonon dispersion calculated with these PPs seem reasonable.

And by the way, I could not view the pictures you posted.

Best regards
Zhishuo Huang

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