Hounerable Admin, Thanks a Million
Is it necessary to add vacuum before doping in bulk though vacuum is necessary between layers before doping?
Thank you, how can we transforme this strucutre into a monolayer 2D strucutre?
Thank you for this helpful tutorial.
Could you please explain what types of atom is used to dop in crystal ? should impurity atom have same valency of electronegativity or other else?
Thanks a lot, I have one question: what is the importance of the addition of vacuum in the relaxation and electronic calculation?
What is text editor do you use? How to download it?
Hi sir. Can u plz tell me the percentage amount of oxygen atom u doped in the structer
thank you, you really help me :ยด)
what to do if the stochiometry is changing while converting to xyz file ?
Can you please do the same for (110) plane for TiO2 or SnO2? It will be of great help.
Sorry for my curiosity, i still dont understand clearly TWO things from your videos. 1. Why do you delete one layer from a and b directions while making vacuumn or any such, for the sake of periodic boundary? 2. Why you save as .XYZ file and then copy them into VASP type file? regards
@deerghshahi5944