[Pw_forum] Imposed symmetry

[Timothy Mason]

Hi Lorenzo,

in what version was this fixed introduced please?

thanks,

Tim Mason
University of Missouri St. Louis


>> does this imply that a good fix to the checkallsym error in vc-relax is to
>> increase ecut to avoid numerical errors that would break the symmetry during
>> vc-relax?
>
> It can help, but a better solution would be to upgrade quantum espresso to
> more recent version, where that problem has been fixed (adding an additional
> active enforcement of the symmetry).
>
> cheers
>