[Pw_forum] Phonon calculation on bcc Te

[Katalin Gaal-Nagy]

Dear Shihn-lun,

can you please explain with few words which kind of modifications you have
done? Was it due to the radial grid points?

Best wishes,
Katalin


> The FHI pseudopotential ( abinit website supplied)
> could yield the good phonon on bcc Te, but
> Te.pz-bhs.UPF
> couldn't.
>
> In addition, the FHI pseudopotential (abinit website)
> couldnt directly be used by pwscf so we must modify
> the
> files before performing.
>
> Best regards,
>
> Shihn-lun.