[Pw_forum] DFT+U with applied electric field

Yusuf Zuntu yzunt at yahoo.com
Tue Dec 15 06:04:16 CET 2015


Dear QE users,Wanted to know if it is possible to run a system of BN 2D sheet with embedded single transition metal under perpendicular electric field  (DFT+U with applied electric field) in QE package and the appropriate type of electric field flag to be used. I will be happy if any one can advice me on a simple procedure to follow in doing this calculations. Thank you for your anticipated quick response.
Yusuf Zuntu
PhD candidate
USM
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