[Pw_forum] Re: how to get Interatomic force constants
giannozz at nest.sns.it
Wed Sep 6 12:48:43 CEST 2006
On Wednesday 06 September 2006 11:09, ruizhi zhang wrote:
> [...] I do not know how to get IFC's from the results.
> The README in example06 says the IFC's is contained
> in the file named alas444.fc .
> But there are only three matrix. i.e. [...]
the matrix elements of the IFC are written after these matrices
(respectively the dielectric tensor and the effective charges).
The format is for internal usage of the code matdyn.x, may
change at any time, is undocumented and will ever be, unless
somebody volunteers to document it
Paolo Giannozzi Phone: +39/050-509876
DEMOCRITOS and SNS Fax: +39/050-563513
Piazza dei Cavalieri 7 I-56126 Pisa, Italy
More information about the users