[QE-users] 'q not allowed' error in phonon dispersion calculations

Lorenzo Paulatto paulatz at gmail.com
Fri Dec 28 19:08:28 CET 2018


> * q=   0.00000509  0.14390743  0.00000000*
>

This point looks very funny, it may be that your system is close, but not
quite, equal, to some higher-symmetry lattice. And this is confusing q2r
somehow. Note that most people (me included) are on holiday now, likely
until the 7th of January. You may get a better answer later.
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