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

Giovanni Pizzi giovanni.pizzi at epfl.ch
Wed Aug 22 15:52:54 CEST 2012


On 08/22/2012 03:40 PM, Paolo Giannozzi wrote:
> I think that variable celldm should disappear ... Thank you anyway for 
> the report

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?
Best,
Giovanni




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