[Pw_forum] about "free" structure
Paolo Giannozzi
giannozz at nest.sns.it
Tue May 30 12:00:45 CEST 2006
On Tuesday 30 May 2006 11:35, sun jason wrote:
> The dynmat.x will not work if I run the scf and phonon calculation
> with a "free" structure by ibrav=0 and specified lattice parameters.
it is a known problem, but fixing it requires some care in order
to avoid breaking something else
Paolo
--
Paolo Giannozzi e-mail: giannozz at nest.sns.it
Scuola Normale Superiore Phone: +39/050-509876, Fax:-563513
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