Negative Density of States from Tetrahedron Method

Yesheng · Post by **Yesheng** » Thu Jan 09, 2014 8:29 am

Hi all,

I made a plot of the angular-momentum resolved density of states for the materials system I'm simulating using the tetrahedron method (prtdos = 3) and I found that some of the s states (l=0) are giving negative values. Attached is my DOS output file from the calculation. I'm wondering if anyone has observed this before, and know what this could be due to? If anyone could offer some advice, that would be greatly appreciated.

Thank you very much,
Yesheng