[Pw_forum] Electron-phonon matrix calculation and elph.#iq.#irr.xml

[Paolo Giannozzi]

If I remember correctly, the calculation contains a division by the
frequency that becomes singular for the three zero-frequency acoustic modes
at q=0. Their coefficients are known to be zero anyway so they are ignored,
I think.

Paolo

On Mon, May 11, 2015 at 5:15 AM, Jaehong Park <ignasio.ssp at gmail.com> wrote:

>
> At gamma point(q-point), there are only 6 irreps and thus 6
> elph.1.#irr.xml files where #irr runs from 1 to 6 due to degeneracy,
>
>
However, where q-point!=0 without such degeneracy, there are 9 irreps and
> corresponding 9  elph.#iq.#irr.xml  files.
>
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