Dear Mohaddeseh,
I think you should specify a more appropriate topic for your problem, so
that you'll
have more probability that someone which can solve the real issue will notice
your mail.
Said that, all I can tell you while you wait for a more precise reply is that
there was a
problem while reading your pseudopotential (which is also what the error
message tells
you...). This means that the PP file you got from conversion has not been
digested by
pw.x. This may be due to many factors: the conversion failed, the file is
corrupted...
You have to specify more details on your pseudo-conversion in order to be
helped.
GS
mohaddeseh abbasnejad wrote:
> 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
>
>
> --
> --------------------------------------------------------------------------------
>
> 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 <mailto:m.abbasnejad at gmail.com>
> Website: http://physics.ut.ac.ir
>
> --------------------------------------------------------------------------------
>
>
>
> ------------------------------------------------------------------------
>
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--
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| Gabriele Sclauzero, PhD Student |
| c/o: SISSA & CNR-INFM Democritos, |
| via Beirut 2-4, 34014 Trieste (Italy) |
| email: sclauzer at sissa.it |
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