[Pw_forum] xspectra calculation error

[bamidele ibrahim]

Dear all,

   I am trying to run xspectra calculation on MgSe. Knowing that there is no gipaw pseudopotential for both contributing element on
  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
  xspectra with xspectra.x but to my surprise, it keeps given this error ;

     from allocate_fft : error #         1
     the nr"s are too small!
Please, can anybody help me out with this?

 
Adetunji Bamidele Ibrahim
Department of physics,University of Agriculture,
Abeokuta, Ogun State,Nigeria.
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