[Pw_forum] about phonon calculation

Ezad Shojaee ezadshojaee at hotmail.com
Sat Jul 15 10:14:10 CEST 2006


>there is a mismatch between what the q2r.x code thinks q-points should be, 
>and what you provided. It is sufficient
>that a coordinate differs by 10^-5 from what it should be
>to get this error. Please check what you used as q-points

>Paolo

thanks for your note
i want to know how should i choose the q-points grid in the phonon 
calculation , not to have this problem ?

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