[QE-users] symmetrization of charge density (pw)

[Roland Winkler]

Thank you Stefano, you are right - very embarassing, how could I miss
that?!  (I have worked more on cubic zincblende than hexagonal wurtzite.
Then, somehow I thought wurtzite should be symmorphic, too.)

Now everything makes sense!

Roland


On Sat, Mar 14 2026, Stefano de Gironcoli wrote:
> I beg to differ
>
> wurtzite https://en.wikipedia.org/wiki/Wurtzite in described as
> having Space group  186 P63mc
> http://img.chem.ucl.ac.uk/sgp/large/186az3.htm which is a non
> symmorphic group
>
> zincblend (the fcc analogue of hcp wurtzite) has symmetry 
> 216. F-43m http://img.chem.ucl.ac.uk/sgp/large/216az3.htm
>
> which is symmorphic  ( td x translations )
>
> stefano