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

[Tran, Fabien]

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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