In general it seems to match quite well, with two exceptions:
i) You have a couple of VERY flat bands, which don't show up in the DOS.
The reason for this is your E-mesh (case.int). The DOS is calculated
ONLY on this E-grid. And you have so flat bands (f-electrons?) that they
do not fall on
: Thursday, December 20, 2012 4:21:43 AM
Subject: Re: [Wien] DOS plots VS band strucutre plots
In general it seems to match quite well, with two exceptions:
i) You have a couple of VERY flat bands, which don't show up in the DOS.
The reason for this is your E-mesh (case.int). The DOS is calculated
2 matches
Mail list logo