[QE-users] BSE on top of hybrid calculation

[Daniele Varsano]

Dear Ritupama, 

I suggest you to join the Yambo forum and post there your question:
http://www.yambo-code.org/forum/ <http://www.yambo-code.org/forum/>

Best,

Daniele


> On 5 Oct 2021, at 13:02, Rituparna Hazarika <rituparnahazarika277 at gmail.com> wrote:
> 
> Respected sir/madam,
>           We have performed hybrid calculation in quantum espresso to resolve the problem of band gap underestimation in DFT.  
>           Can we use the BSE method available in YAMBO on top of hybrid scf calculation to obtain the optical properties of the considered system  without performing the GW part ( as the computational cost of GW calculation is very high)????
> 
> With regards
> Rituparna Hazarika
> 
> _______________________________________________
> 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

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20211005/ce6515e5/attachment.html>