[Pw_forum] Bug in QE 5.0 with ibrav=0 and using a instead of celldm

[Paolo Giannozzi]

On Aug 22, 2012, at 15:52 , Giovanni Pizzi wrote:

> Ok. But then, to fix the problem, one should define celldm(1) in  
> pw.x as
> I was suggesting, or change q2r.x so that it doesn't use celldm?

the latter is the best solution, but requires some care. Moreover there
can be more cases like this. So for the time being it is safer to choose
the former

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