Recent content by mdtsakir

Thank you! Yes I have already posted the question according to @Ibix's instructions. Thanks a lot!

While reading DFT literature, I often see the chemical potential of an element described as its reference energy, typically taken from a bulk phase. For example, in BCC Li metal containing 128 atoms, the chemical potential of Li is commonly taken as the total energy divided by 128, which...

Thanks. Should I ask the question here? I posted it as a post in my profile.

I am a PhD student at Utah State University, USA. I'm working on the Solid State Li metal Battery materials. I use DFT (on VASP), MD, Finite elements, etc. to analyse mechanical and electronic properties of materials. Im here to ask some questions and learn more.

What is the chemical potential of an element in a compound from DFT if the system is not assumed to be in equilibrium with any external reservoir? Can a compound be considered naturally “Li-poor” simply because it contains a relatively small fraction of Li atoms, when if it is not equilibrated...