Dear Quantum Espresso Users,
I am interested in calculating the dielectric tensor for a metal oxide. However, I am uncertain how to proceed with this calculation. Based on my knowledge, I know that Hubbard U corrections are typically needed for metal oxides in order to predict the correct insulating behavior. However, if I describe the system as a metal (with smearing and a degauss value) with Hubbard U then the code may lead to an error because the dielectric constant for a metal is infinite. Is there a way around this problem? Any advice would be greatly appreciated. Thanks, Adib Samin Adib Samin Postdoctoral Researcher The Department of Aerospace and Mechanical Engineering The Ohio State University -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140828/05116ab1/attachment.html
