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 <[email protected]> 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. > > Tel : +82-2-958-6653 > > Mobile : +82-10-5481-5143 > > E-mail : [email protected] > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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