If you plot your structure with XCrySDeN or something else, does it look right?
Lex Kemper University of Florida ?? wrote: >> Please try to point out clearly where your problem really is, otherwise >> noone will be able > > A mor specific problem is that did I put it correctly for I4/mmm space > group in the strucure of "ibrav=6" and 2a 4d 4e coordinates in > ATOM_POSITION with crystal option.Are "ibrav=6" and crystal correct?I > though I shuold make sure this problem before checking the k_points. > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum
