> Wrong ibrav > > Is it possible that this is because I messed up the names of the > files, or do I need to include explicitly the coordinates of the high > symmetry points? > Well, what's your value of ibrav anyway? Using ibrav=0 would not work, other special values may not work
-- Lorenzo Paulatto - Paris _______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
