<html><body><div style="color:; background-color:; font-family:times new roman, new york, times, serif;font-size:12pt">Dear all,<br><br> I am trying to run xspectra calculation on MgSe. Knowing that there is no gipaw pseudopotential for both contributing element on<br> the pwscf-pseudo page, i tried to generate one for both Mg and Se. After running scf with this pseudo, i proceed to running the<br> xspectra with xspectra.x but to my surprise, it keeps given this error ;<br><br> from allocate_fft : error # 1<br> the nr"s are too small!<br>Please, can anybody help me out with this?<br><div> </div><div>Adetunji Bamidele Ibrahim<br>Department of physics,University of Agriculture,<br>Abeokuta, Ogun State,Nigeria.</div></div></body></html>