[Pw_forum] problem in phonon DOS calculation of HCP structure (Job details)
yi.kong at gmail.com
Thu Sep 15 02:41:15 CEST 2005
The matdyn.x is for sure running on a single processor. 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, but I indeed obtained
the phonon spectra of this alloy system in cubic structures.
Department of MSE
PR China, 100084
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