2 Questions 2 Answers 0 Followers
Questions related from Shadman Saquib
How do I obtain the HOMO(valence band maximum) and LUMO(conduction band minimum) with respect to vacuum using quantum espresso?
10 October 2024 4,524 2 View
I am calculating OER and HER reaction pathway for photocatalytic acitivity of a 2D material with a supercell size of 2x2x1. Hence, I need to find free energy correction for several intermediate...
06 October 2024 6,640 4 View
