[Wien] DOS plots VS band strucutre plots

2012-12-20 Thread Peter Blaha
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

[Wien] DOS plots VS band strucutre plots

2012-12-20 Thread Jifeng Sun
: 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