[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 
Piazza dei Cavalieri 7      I-56126 Pisa, Italy



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