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

[Tarek Hammad]

Dear Hari

I will be so glad if you comment on the the plots you asked me before to 
send you.

Your opinion and others will be important for me.

Please, check the last two e-mails I sent you.

Thanks a lot for your help.

Dr. Tarek Hammad.

On ١٩‏/١١‏/٢٠٢١ ٤:٢٨ م, Hari Paudyal via users wrote:
> Can you share your qe and wein2k plots?
>
> Best,
> Hari
>
> On Thu, Nov 18, 2021 at 6:08 PM Tarek Hammad <Hammad_Tarek at hotmail.com 
> <mailto:Hammad_Tarek at hotmail.com>> wrote:
>
>     Dear Hari Paudyal
>
>     Thanks a lot for your kind reply.
>
>     However, I have ran the same calculations using wien2k code. The
>     results were in consistent with the published data!!!!
>
>     So, I have decided to run the required calculations to obtain DOS
>     for simple metal as Ni . I also found that for wien2k the results
>     was very close to experimental work published everywhere  which
>     was so far from quantum espresso results.
>
>     Most important problem was the fermi energy value that makes this
>     discrepancy between DOS plots in wien2k and quantum espresso!!!.
>
>     Please, I need explanation for this discrepancy to remove my miss
>     understanding.
>
>     Kind regards
>
>     Dr. Tarek Hammad.
>
>     On ١‏/١١‏/٢٠٢١ ١٠:١٣ م, Hari Paudyal via users wrote:
>>     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 <mailto: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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