Rinku Majumder

2 Questions 4 Answers 0 Followers

Questions related from Rinku Majumder

How to include spin orbit interaction in CASTEP?

I am doing a project which has three atoms and all of them are greater than mass number 50. As I know for atoms greater than mass number 50 must included spin orbit interaction. Is this inclusion...

11 May 2019 9,003 4 View

How to dope a element in a material properly using CASTEP ?

I am trying to construct a Na doped LaMnO3 structure by substituting 15% La by Na. Please give a clear idea about the procedure as I am a beginner of CASTEP code. Thanks in advance.

22 March 2019 4,767 15 View