You may also take a glance to the turbolanczos code that computes the optical properties using tddft, including hybrid functionals. Not sure if turboeels also works with hybrids. SB
-- Stefano Baroni, Trieste -- swift message written and sent on the go Il giorno 5 ott 2021, alle ore 13:49, Daniele Varsano <[email protected]> ha scritto: Dear Ritupama, I suggest you to join the Yambo forum and post there your question: http://www.yambo-code.org/forum/ Best, Daniele On 5 Oct 2021, at 13:02, Rituparna Hazarika <[email protected]<mailto:[email protected]>> 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<http://www.max-centre.eu>) users mailing list [email protected]<mailto:[email protected]> https://lists.quantum-espresso.org/mailman/listinfo/users _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
_______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
