[QE-users] Difference in DOS intensity in QE and Yambo

[Paolo Giannozzi]

DOSes are quite sensitive to the details of the calculation: k-point 
grid, broadening or tetrahedron method used, number of bands, etc.. If 
it is possible to do that, can you compare the DOS with no GW from Yambo 
  with the DOS from QE? Apart from a factor, of course. QE plot DOSes in 
units of states/eV. Not sure what Yambo does.

Paolo


On 1/7/25 08:27, Zimmi Singh wrote:
> 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.
> 
> dos.jpg
> 
> -- 
> *Best Regards*
> Zimmi Singh
> /Research_Scholar
> /
> /Department of Metallurgical and Materials Engineering
> Indian Institute of Technology, Kharagpur
> Kharagpur, India/
> 
> 
> _______________________________________________________________________________
> The Quantum ESPRESSO Foundation stands in solidarity with all civilians worldwide who are victims of terrorism, military aggression, and indiscriminate warfare.
> --------------------------------------------------------------------------------
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users

-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216