Without more information, like the fdf file you have used to calculate it, it becomes a guessing exercise. However, if you are using one of the latest versions of siesta, check if the PDOS.kgrid_Monkhorst_Pack is present. If yes, then include a block PDOS.kgrid_Monkhorst_Pack with a grid at least three times as dense as the one you have used for the SCF/relaxation, and go increasing the density of the grid until you are satisfied with the final graph.
Marcos On Tue, Nov 16, 2010 at 4:42 PM, zahra akbarinejad <[email protected] > wrote: > Hi > > I attached plot of bilayerGraphene DOS. this plot have alot of fluctuation > but the whole procedure of it is correct. > Can any one help me to correct it? > > thanks >
