[Pw_forum] cannot bracket Ef

Marcello Rosini marcello.rosini at unimore.it
Mon Aug 9 09:24:56 CEST 2010


Dear all
I got this error from a relax calculation

  %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
      from efermig : error #         1
      internal error, cannot braket Ef
  %%%%%%%%%%%%%%%%%%%%%%%%%%%

I am using a smearing, thus I do not have the problem of unsufficient 
number of bands.
The program makes a number of relaxations cycles and then stops.
I did not find anything useful from the older post in the forum.

Here find the input and the output
http://cdm.unimo.it/home/fisica/rosini.marcello/pwerror.tgz

Any suggestion?
thanks
Marcello

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   email: marcello.rosini at unimore.it

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