[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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Dipartimento di Fisica, Università di Modena e Reggio Emilia
and S3 National Research Centre of CNR-INFM
via campi 213/a - 41125 Modena - Italy
tel: +39 059.205.5067
email: marcello.rosini at unimore.it
www.nanomodelling.unimore.it
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