On Thu, 2017-05-18 at 20:04 +0800, balabi wrote: > > > Dear Andrea, > > > Thank you so much for explanation. > > > gS-N-gS1 is indeed on the same line. > > > However, I don't understand your example of fcc. gG-K-X is not on the > same line. And I test it as below on diamond > > > K_POINTS tpiba_b > 3 > gG 20 > K 20 > X 1
In my example X was (1,1,0). The X that corresponds to the label is (0,1,0). The two points are equivalent but to go from K to (0,1,0) the path changes direction in K so the point K is shown. Going from K to (1,1,0) the path does not change direction and K is not shown. Andrea > > the output of bands.x has 3 high-symmetry points. What is wrong? > > > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Andrea Dal Corso Tel. 0039-040-3787428 SISSA, Via Bonomea 265 Fax. 0039-040-3787249 I-34136 Trieste (Italy) e-mail: [email protected] _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
