On Oct 27, 2010, at 23:02 , Eduardo Ariel Menendez Proupin wrote: > I think it would be helpful and appreciated to keep scf with > tetrahedron method
it is still working: it is sufficient to comment out a check in PW/ input.f90 . Anyway, I'll set a les restrictive condition > It would also be fine if the program just don't calculate the > forces when the tetrahedron > method is chosen, and give a warning for the beginners "forces are > not variational. > Use other smearing method" beginners don't read warnings, and when they do, they don't understand it ... P. --- Paolo Giannozzi, Dept of Chemistry&Physics, Univ. Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
