On Mar 23, 2010, at 5:51 , Fanshun-Meng wrote: > if I use "occupied = tetrahedra" in SCF calculation you shouldn't use 'tetrahedra' for forces and phonon calculations P. --- Paolo Giannozzi, Dept of Physics, University of Udine via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222