[QE-users] Difference in DOS intensity in QE and Yambo
Zimmi Singh
singh.60 at kgpian.iitkgp.ac.in
Tue Jan 7 08:27:35 CET 2025
Dear Developers and Community,
I am plotting the density of states (DOS) using Density Functional Theory
(DFT) and the G0W0 method with the YAMBO code. However, I am observing
significant differences in the DOS intensity values. It appears to me that
both Quantum ESPRESSO (QE) and YAMBO do not normalize the DOS values over
the volume (unit: states/eV), so I would expect them to be similar, with
only minor shifts due to the increased band gap in the G0W0 results.
However, as shown in the attached picture, the DOS values differ
considerably by two orders of magnitude.
I would greatly appreciate any suggestions or insights regarding other
factors that might cause this significant mismatch in DOS intensity.
[image: dos.jpg]
--
*Best Regards*
Zimmi Singh
*Research_Scholar *
*Department of Metallurgical and Materials Engineering Indian Institute of
Technology, Kharagpur Kharagpur, India*
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