?????? ????? wrote: > according to changelog-4.2, the tetrahedron method was forbidden to be > used for scf at *2010-03-25.* > What is the reason?
forces are not variational, i.e. are not the derivative of the energy. This shouldn't be a big problem if you do not calculate forces, though. > Probably, the best person to answer the question is Prof. Gianozzi. I don't know any Prof. "Gianozzi". Who is he? P. -- Paolo Giannozzi, Democritos and University of Udine, Italy
