[Pw_forum] Clarification of a confusion related to q vector specifications in ph.x

Paolo Giannozzi giannozz at democritos.it
Sat Jun 25 10:59:09 CEST 2011


On Jun 24, 2011, at 19:52 , Vikas Varshney wrote:

> "After the namelist you must specify the q-vector of the phonon mode.

in cartesian corrdinates, 2\pi/a units

> This must be the same q-vector given in the input of pw.x."

obsolete statement from the old procedure, please ignore

P.
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Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222







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