[Pw_forum] problem in phonon DOS calculation of HCP structure

Paolo Giannozzi giannozz at nest.sns.it
Wed Sep 14 15:59:21 CEST 2005

On Wednesday 14 September 2005 15:46, Yi Kong wrote:

> I encounter a problem when I do phonon DOS calculation of HCP structure.
> In my calculation, I use 4*4*4 grid, that is to say, 12 special points to 
> perform PH.x calculation, than I use Q2r.x to get the force constants in
> real space. These calculations are all ended correctly. When I want to use
> matdyn.x to get the phonon DOS, an error message appeared [...]
> Who can help me to solve this problem?

please provide a job showing this error

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

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