On Fri, 2012-01-20 at 12:30 +0100, Iurii TIMROV wrote: > I have a question: Which crystal axes we are dealing with, > the crystal basis of direct vectors (at(i),i=1,2,3)
yes. The "crystal basis" is formed by three vectors, v_1 = at(:,1), v_2 = at(:,2), v_3 = at(:,3) (in units of the lattice parameter a) P. -- Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
