[QE-users] BSE on top of hybrid calculation

Rituparna Hazarika rituparnahazarika277 at gmail.com
Tue Oct 5 13:02:22 CEST 2021


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
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