[Pw_forum] Band structure

潘登 panda.deng.pan at gmail.com
Sat Mar 7 16:29:33 CET 2009


> Why? How many of them are there??

12.I just repeat the calculation which have been done yet.In that
paper do not have the flat bands.

>  Ba 137.327 Ba.pbe-nsp-van.UPF
>
> This pseudopotential has semi-core states 5S and 5P in valence; times 2
> atoms it makes 6 flat bands.

Is not the matter with smearing at all?



More information about the users mailing list