2 Questions 4 Answers 0 Followers
Questions related from Gurudayal Behera
How to calculate the defect charge formation energy for a metallic system (bulk/surface) using DFT? The defect formation energy is calculated by the following formula E_formation (D,q) = E (D,q)...
24 August 2020 6,187 4 View
How to calculate carrier transport properties of surface or interface structures using DFT?
20 January 2020 4,155 2 View