[Pw_forum] wrong order of k points

Paolo Giannozzi giannozz at democritos.it
Wed Sep 3 12:30:36 CEST 2008


On Sep 3, 2008, at 10:48 , Munima Bora Sahariah wrote:

>>      from phq_init : error #         1
>>      wrong order of k points

you either did not perform the intermediate non-scf calculation
needed for q/=0 (old QE versions), or you did not specify the
option lnscf=.true. to phonon (new QE versions)

Paolo
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222





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