[Pw_forum] Elastic Constant.

Paolo Giannozzi giannozz at democritos.it
Wed Jun 17 10:43:15 CEST 2009


Huiqun Zhou wrote:

> The straightforward approach is tedious for orthogonal, monoclinic, triclinic
> systems. Should the lost implementation gain in these respects?

the lost implementation was written only for the cubic case and only for
the bulk modulus, if I remember correctly. Extending it to low-symmetry
cases would also be tedious!

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy


More information about the Pw_forum mailing list