[Pw_forum] scf calculation

[mohaddeseh abbasnejad]

Dear all,

I want to do scf calculation for Ni. I used tabulated pseudopotential from
CASINO
and converted it to one appropriate for PWscf..
As I run it, it gives me such an error:

     Program PWSCF     v.4.1CVS starts ...
     Today is  7Feb2009 at 17:37:51

     For Norm-Conserving or Ultrasoft (Vanderbilt) Pseudopotentials or PAW

     Current dimensions of program pwscf are:
     Max number of different atomic species (ntypx) = 10
     Max number of k-points (npk) =  40000
     Max angular momentum in pseudopotentials (lmaxx) =  3

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from read_pseudo_nl : error #         1
     Reading pseudo file (BETA)
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

Would you please help me?

Thanks in advance.

Mohaddeseh


-- 
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Mohaddeseh Abbasnejad,
Room No. 323, Department of Physics,
University of Tehran, End of North Karegar Ave.,
Tehran, P.O. Box: 14395-547- IRAN
Tel. No.: +98 21 6111 8634  & Fax No.: +98 21 8800 4781
E-Mail:     m.abbasnejad at gmail.com
Website:  http://physics.ut.ac.ir

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