On Mon, Mar 7, 2022 at 9:10 PM Gerson J. Ferreira <gersonjferre...@ufu.br> wrote: > > I've tested Andrea's suggestion now, and it fixes the bug in the classes of > D_3h. The modification was > > (quoting Andrea's email) > > In PW/src/divide_class_so.f90 at line 653 there is now: > >> IF (nelem(iclass)>1) THEN >> which_irr(iclass)=9 >> ELSE >> which_irr(iclass)=6 >> END IF > > > This test should be > >> IF (nelem(iclass)>2) THEN >> which_irr(iclass)=9 >> ELSE >> which_irr(iclass)=6 >> END IF
Thank you for your confirmation. I asked you about the use of this patch in another email in this thread. Best, Hongyi _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list users@lists.quantum-espresso.org https://lists.quantum-espresso.org/mailman/listinfo/users
