[Wien] Problem in Bandstructure plot
Peeyush kumar kamlesh
peeyush.physik.rku at gmail.com
Sat Nov 23 18:06:57 CET 2019
Dear Bhamu Sir,
I used following commands:
1. init_lapw -p
2. run_lapw -p
3. init_hf_lapw -p
4. run_lapw -p -hf
5. Then create case.klist_band as usual
6. run_bandplothf_lapw -p -qtl
7. edit case.insp
8. x spaghetti -p
9. plot bandstrucure
So, Is there any need to run lapw2 and spaghetti again?
Thanks and regards
Peeyush Kumar Kamlesh
On Sat, Nov 23, 2019 at 10:46 AM Peeyush kumar kamlesh <
peeyush.physik.rku at gmail.com> wrote:
> Dear Users,
> Greetings!
> Generally when we plot bandstructure in WIEN2k, it shows fermi level (Ef =
> 0) just above the valance band. But when i am plotting it for my compound
> then fermi level is crossing the valance band. Can you please explain the
> problem and suggest a solution?
>
> Regards
> Peeyush Kumar Kamlesh
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://zeus.theochem.tuwien.ac.at/pipermail/wien/attachments/20191123/3c0ea774/attachment.html>
More information about the Wien
mailing list