[Pw_forum] problen to run q2r.x code.

Paolo Giannozzi giannozz at democritos.it
Fri Jan 27 10:24:15 CET 2012


On Thu, 2012-01-26 at 21:51 +0530, bramha pandey wrote:

> file /home/espresso-4.2/phcal/si/dyn.G0 not found

> but i have a file of dyn.G not dyn.G0

the phonon code produces it if you perform a complete
phonon dispersion calculation. If you don't, or if you 
are running an old version of the ohonon code, you have 
to provide as input variables to q2r.x the information 
contained in file dyn.G0

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy





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