rt-tddft for gas phase water XAS around Oxigen k-edge

[Carles]

Dear all,

I am calculating XAS around the oxigen k-edge of a single water molecule. All basis and functionals that I have tried, including some examples given in the NWChem manual, result in absorption peaks beyond the oxigen k-edge, which seam spurious, since the experimental XAS shows nothing after the oxigen k-edge (above 540 eV). 

Do you know if the optimal basis and functional for such a study in NWChem is already known? 

Any help would be very welcome.

Best wishes,

Carles