[Pw_forum] error: npert > max_irr_dim

Aritz Leonardo swblelia at sw.ehu.es
Tue Feb 21 20:36:20 CET 2006


Hello all.

While performing a phonon calculation on a monolayer of C I got the
following error:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     task #         1
     from set_irr : error #         0
     npert > max_irr_dim
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

Searching the pw_forum archive, the solution seems to be to recompile
the code using a bigger value for max_irr_dim parameter.

But.... from the archive:"The parameter defines maximum allowed number
of degeneracy of modes"

Could somebody tell me what does this mean?

By the way, I have made exactly the same calculation (all the parameters
being identical and with the same list of q vectors) but changing
ecutwfc from 35 ryd to 32. In this case there was no error.

Am I going beyond any kind of limit?

thank a lot




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