[Pw_forum] Tetrahedra method

Paolo Giannozzi giannozz at democritos.it
Fri Oct 30 14:58:20 CET 2009


I am not sure tetrahedron method works in the
noncolinear case. In any event, be careful because
its usage for self-consistency will lead to small errors
on forces. The main usage of tetrahedra is for
calculation of the DOS.

P.
---
Paolo Giannozzi, Dept of Physics, University of Udine
via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222





More information about the Pw_forum mailing list