>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 ? _________________________________________________________________ Don't just search. Find. Check out the new MSN Search! http://search.msn.com/
