Density of states
Posted: Wed Jul 04, 2007 4:38 pm
I tried to plot the DOS for Silicon, using an FCC cell at zero pressure. I used both ISMEAR=0 with SIGMA=0.01 and ISMEAR=-5. The results are very similar, and it seems that Si is a metal (!). There is no visible gap anywhere...
Any ideas what I'm doing wrong? I tried with v.4.6.13 and 4.6.28 with the same results.
Any ideas what I'm doing wrong? I tried with v.4.6.13 and 4.6.28 with the same results.