On Tue, Jun 22, 2021 at 8:04 AM 526587466 via users < [email protected]> wrote:
> > For the 1H-MoS2 monolayer, its symmetry should be D_3h (P-6m2) #187 space > group. However, the QE (6.6 version) prints D_3h (-62m), is it (P-62m) > #189 space group? > no: QE prints D_3h as point group, with the alternate name -62m. Depending upon which axis has symmetry of order 2, in the space group a D_3h point group is sometimes referred to as -6m2 instead of -62m, but here no attempt is done to identify the space group. Paolo (with help from Andrea Dal Corso) > > Thanks. > > YP > > HTU > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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