On Dec 9, 2011, at 13:33 , Eduardo Ariel Menendez Proupin wrote: > I would like to know if the step-like aspect of a DOS calculated with > the tetrahedron interpolation is what is expected to be. Please, take > a look at the figures attached.
your system is quasi-1d, or at least, the k-point grid is, am I correct? In that case, I am afraid that what you get is what you should get. I am actually surprised that it works at all! Notice that the "steps" in tetrahedron DOS exactly correspond to the "peaks" in gaussian DOS. Paolo (guilty of the tetrahedron implementation) --- Paolo Giannozzi, Dept of Chemistry&Physics&Environment, Univ. Udine, via delle Scienze 208, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222