[Pw_forum] problem in phonon DOS calculation of HCP structure
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
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