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[matthieu verstraete <matthieu.jean.verstraete@gmail.com>]

Masayoshi is correct: because you set ionmov, the first GS run did a
relaxation before finishing. This is certainly a bad idea, because the
new geometry will not be copied over to the other dtsets, and because,
as you saw, the file names are incorrect, with the TIMx added, instead
of the straight density file. You should separate your runs, and do
any relaxation and convergence testing separately before running the
RF.

Matthieu

On Thu, Apr 16, 2009 at 12:06 PM, Masayoshi Mikami
<masayoshi.mikami@gmail.com> wrote:
> It would be a good idea to run through the Tutorials (in particular,
> Response-Function 1, Response-Function 2) before your own jobs.
> At the same time, you might want to consult with some textbooks on solid 
> state
> physics. (i.e. the meaning of dielectric function for semiconductors. Is it
> meaningful to run RF calculation for such metallic case ?!)
> In passing, RF calculation will not need "ionmov"...
>
> Bon courage,
> Masayoshi
>



-- 
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
Dr. Matthieu Verstraete

European Theoretical Spectroscopy Facility (ETSF)
Dpto. Fisica de Materiales,
U. del Pais Vasco,
Centro Joxe Mari Korta, Av. de Tolosa, 72,   Phone: +34-943018393
E-20018 Donostia-San Sebastian, Spain        Fax  : +34-943018390

Mail : matthieu.jean.verstraete@gmail.com
http://www-users.york.ac.uk/~mjv500