Hello, I encountered the same error using matdyn.x as Yi Kong. A common point is that it happens for an hexagonal structure too. Is there already any solution to that? Eduardo
-----=_Part_21894_8936413.1126705567421 Content-Type: text/plain; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Content-Disposition: inline Dear all, I encounter a problem when I do phonon DOS calculation of HCP structure. In= =20 my calculation, I use 4*4*4 grid, that is to say, 12 special points to=20 perform PH.x calculation, than I use Q2r.x to get the force constants in=20 real space. These calculations are all ended correctly. When I want to use= =20 matdyn.x to get the phonon DOS, an error message appeared: ********************** error message **************** 63.3333333333333333333 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% from frc_blk : error # wrong total_weight %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% stopping ... *************************** end **************** Polite request: Avoid send Word attachments. To see why, take 6 minutes to read at http://www.gnu.org/philosophy/no-word-attachments.html Eduardo A. Menendez Proupin Department of Physics Faculty of Science University of Chile Las Palmeras 3425 ?u?oa, Santiago Chile Phone: 56+2+978 74 11 http://fisica.ciencias.uchile.cl/~emenendez/
