[QE-users] [External Email] absence of DOS above Fermi level

[Hari Paudyal]

Dear  Dr. Tarek Hammad,

Is "nbnd = 278" enough to describe the bands above the Fermi level? Also,
maybe, "emax=15" has constrained your calculation, not sure.

Best,
Hari Paudyal




On Mon, Nov 1, 2021 at 2:12 PM Tarek Hammad <Hammad_Tarek at hotmail.com>
wrote:

> Dear QE team and users
>
> I ran qe to get the DOS for spin polarized case after writing the
> required scf, nscf, and DOS files.
>
> However, DOS plot looks strange such that the spin-up density of states
> above EF were almost absent!!!!!!!
>
> I attached with this message the following files:
>
> scf, nscf,  and dos files besides the dos_plot.
>
> Thanks a lot in advance for your help.
>
> Dr. Tarek Hammad
>
>
>
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