[Pw_forum] EXX on 1D supercells fail - solved

[Paolo Giannozzi]

On Oct 16, 2010, at 8:56 , Madan Mithra. L. M wrote:

> I have found that removing 'ecutrho' from the input file makes the  
> job to run.


thank you for the info. I don't think however that removing ecutrho  
as ONLY
change can make your job run. In your job, ecutrho=4*ecutwfc. This is  
correct
and is the default, so if you remove it, nothing should change.

I have noticed is that your job uses many bands (approx. two times more
than actually needed) a large cutoff and a large number of k-points.  
Since
in exact-exchange calculations all wavefunctions are stored into memory,
you may easily exceed thr available memory limits

Paolo
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Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222