Mohammad Abu Raihan Miah

2 Questions 9 Answers 0 Followers

Questions related from Mohammad Abu Raihan Miah

What are the effective k points in Auger Recombination Rate/Impact Ionization Rate calculation using supercell?

For DFT or TB or any scf calculation supercell is needed to include the defects in material. Now I get the the converged eigen energy and eigen vector at supercell k vector. I can unfold the band...

31 August 2017 7,855 2 View

What is the physical meaning of Effective Band Structure (EBS) in projection based unfolding mechanism?

There are unfolding mechanism for supercell based first principle calculation for both plane wave basis sets and localized basis sets. Some of the example are in the following...

17 January 2017 7,620 2 View