Dear Meisam, You would still need to provide input and output because "doesn't converge" means very little out of context. We need to see what that means. Besides, 5 scf cycles is not very many cycles. Is it possible that you mean atomic steps? Even so, it's still acceptable.
Hande On Fri, 1 Aug 2008, meisam aghtar wrote: > Dear Stefano I didn?t change any parameters and they are in default mode. I used automatic meshing BZ,1*1*8.also I have not fixed any position. in output , after 5 scf cycles the system doesn?t converge. I think if I ?disrupt the position it would converge but I don?t know how I could make this system converge. ? ? Thanks for your attention. ? M.aghtar Msc student, physics department of Kashan university? -- Hande Toffoli Department of Physics Office 439 Middle East Technical University Ankara 06531, Turkey Tel : +90 312 210 3264 http://www.physics.metu.edu.tr/~hande
