[Wien] Why the GAP appeared in DOS plot is lower than the GAP obtained during "Analysis"

[shamik chakrabarti]

Dear Dr. Tran,

             The gap appeared is 4.606 eV in the "Analysis" while the plot
shows 3.62 eV.

with regards

On Thu, 23 Apr 2020 at 13:43, Tran, Fabien <fabien.tran at tuwien.ac.at> wrote:

> The gap shown in Analysis is :GAP in case.scf. If a different k-mesh (than
> the one used during the SCF calculation) is used for generating the DOS,
> then there may be a difference. Typically, one should increase the k-mesh
> for DOS.
>
> What is the difference between the gaps in Analysis and DOS in your case?
>
>
>
> ------------------------------
> *From:* Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of
> shamik chakrabarti <shamik15041981 at gmail.com>
> *Sent:* Thursday, April 23, 2020 10:01 AM
> *To:* A Mailing list for WIEN2k users
> *Subject:* [Wien] Why the GAP appeared in DOS plot is lower than the GAP
> obtained during "Analysis"
>
> Dear Wien2k users,
>
>                              We have seen that the GAP appeared in DOS
> plot is lower than the GAP obtained during "Analysis". Why it is so? what
> is the meaning of GAP appeared during "Analysis"
>
> Looking forward to your reply in this regard.
>
> with regards,
>
> --
> Dr. Shamik Chakrabarti
> Research Fellow
> Department of Physics
> Indian Institute of Technology Patna
> Bihta-801103
> Patna
> Bihar, India
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-- 
Dr. Shamik Chakrabarti
Research Fellow
Department of Physics
Indian Institute of Technology Patna
Bihta-801103
Patna
Bihar, India
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