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 _______________________________________________________________________________ The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare. -------------------------------------------------------------------------------- Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
