My Community

Hi there,
I'm trying to calculate a good Electron DOS. DOS information is in DOSCAR, however, it only has 301 points. I usually plot it with 1000 points or higher. Is there an option to increase this?

<span class='smallblacktext'>[ Edited ]</span>

The NEDOS tag sets the number of grid points in DOS. By default this is set to 301. Please set NEDOS = 1000 in your INCAR file if you want to have 1000 grid points.

However, please notice that this has nothing to do with the number of k-points as your titel implies. The number of k-points is set in the KPOINTS file. To get a high quality DOS you usually have to have a fine k-point grid.

Cheers,
/Dan
<span class='smallblacktext'>[ Edited Sat Jun 19 2010, 05:44PM ]</span>