[Pw_forum] Transformation of a tensor from the crystal basis to the cartesian basis and viceversa

[Paolo Giannozzi]

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