[Smeagol-discuss] running example file

[asa aravindh]

Dear all,
 I am a new user of smeagol. When trying to run the Fe.fdf example file in
the smeagol.1.0b/Examples directory in parallel,  I am getting the following
error in the output.
-------------------------------------------------------------------------------
* Maximum dynamic memory allocated =    11 MB
stepf: Fermi-Dirac step function
 FERMID: ITERATION HAS NOT CONVERGED.
 FERMID: QTOT,SUMQ=   8.00000000000000      NaN
---------------------------------------------------------------------------------
and the programme apparently stops at this point
But when I run the siesta version 2.0, this error is not coming ..
Can anybody please tell me what may be the possible reason for this
Thanking you,
Asa

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