I'm not completely sure I understood what you want, but I assume you'd
have surf_basis_1.fdf, surf_basis_2.fdf, mol_basis_1.fdf and
mol_basis_2.fdf, and then you'd like to make different combinations of
those basis.
Right.
The easiest workaround to this would be to use shell scripts to combine
the surf_basis_X.fdf and the mol_basis_Y.fdf using cat, to redirect the
output to a file whose name will be in the include.
This is not a better solution than to not use includes at all.
Because you will have to have an extra script file (different for each
task) in every task's directory.
Plus, you separate the changeable input into 2 places (original fdf and
this script) while the idea of include is to get rid of clutter (by
putting repeatable but non-changeable stuff into separate files) while
still having all changeable input in one place.
Or, you can try not
using the include, and, in the siesta fdf file, use
%block PAO.basis < basis_surf_plus_mol.fdf
%endblock PAO.basis
This would do the job if it could do like this:
%block PAO.basis < basis_surf.fdf, basis_mol.fdf
%endblock PAO.basis
