[Pw_forum] GIPAW and nosymm

[Davide Ceresoli]

Dear Carlo,
    can you rotate your cell parameters (using ibrav=0) such
that symmetry operations map cartesian axes into themselves,
like in the quartz example? In that case you can still exploit
symmetry. Otherwise... not with the current implementation.

Davide


On 05/22/2012 01:52 PM, Carlo Nervi wrote:
> Dear PW community,
> using GIPAW, up to now, I always added 'nosym= .true.' to preliminar scf
> calculations with Quantum espresso 4.3.2
> Is the limitation still necessary for GIPAW calculations?
> I'm doing calculations on a rather large system and symmetry could help a lot.
> BTW, the new version QE 5.0 includes some improvements in this respect?
> Thanks,
> Carlo