Vasilii
FDF is an independent package on itself developed by
Alberto Garcia and Jose M. Soler.
If you take a look at the fdf directory within the Src dir
of the siesta distribution, you'll get a feel of how to use it,
with some sample fortran files.
In addition you may want to check Util/SiestaSubroutine
for what you want to do
Emilio
Vasilii Artyukhov wrote:
Dear all, especially, the developers,
Could someone briefly explain to me how to work with the FDF format?
I'd like to use SIESTA as an external subroutine (I want to implement
some simple form of metadynamics), and it seems a nice idea to
make the driver program compatible with FDF.
Best regards,
Vasilii
--
Emilio Artacho
Department of Earth Sciences, University of Cambridge
Downing Street, Cambridge CB2 3EQ, UK
Tel. (+44/0) 1223 333480, Fax (+44/0) 1223 333450
[EMAIL PROTECTED], http://www.esc.cam.ac.uk/~emilio
