[Pw_forum] problem in phonon DOS calculation of HCP structure (Job details)

[Paolo Giannozzi]

On Thursday 15 September 2005 02:41, Yi Kong wrote:

> The matdyn.x is for sure running on a single processor.

your script runs q2r.x and matdyn.x on multiple processors

> The Ru-Pd alloy system I studied is an immiscible system, that is 
> to say, the alloy has positive heat of formation and is artificially 
> created nonequilibrium alloy. I don't know if this feature can lead
> to this error

no

-- 
Paolo Giannozzi             e-mail:  giannozz at nest.sns.it
Scuola Normale Superiore    Phone:   +39/050-509876, Fax:-563513 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy