Indeed, these lines (the ones with ======) shouldn't be there. Or, at least, they should have a hash (#) in the beginning, in which case Siesta would interpret them as a comment and it would have no effect.
Marcos On Thu, May 19, 2011 at 1:29 PM, Hongyi Zhao <hongyi.z...@gmail.com> wrote: > 2011/5/19 Valentin V. Karasiev <vkara...@gmail.com>: > > Hi, > > > > The lines that are bothering you are not in fdf file, they are in a > script > > which generates fdf file. The script, after generating fdf file calls > siesta > > which uses generated fdf file to input. > > The lines will appear in the end of the generated fdf file. And I've > run the corresponding job by using the fdf file and it seems it can be > performed smoothly without effect by these two lines. > > This is the reason that I ask for the specification of fdf file. > > Regards. > -- > Hongyi Zhao <hongyi.z...@gmail.com> > Xinjiang Technical Institute of Physics and Chemistry > Chinese Academy of Sciences > GnuPG DSA: 0xD108493 >
