[QE-users] Band convergence in epsilon.x calculation

Rituparna Hazarika rituparnahazarika277 at gmail.com
Thu Dec 16 10:30:40 CET 2021


Respected Sir/ Madam,
     We want to calculate optical properties using epsilon.x code. During
band structure calculation we have used nbnd = 150. With the same nbnd we
have to perform the epsilon.x calculation or do we need to perform nbnd
convergence???

With regards
Rituparna Hazarika
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20211216/93635130/attachment.html>


More information about the users mailing list