- #1
sidiq
- 3
- 0
Hi everyone!
I run the software ABINIT. It allows one to model solids as a plane-wave pseudopotential. Since it is based on first principles DFT, we are able to obtain the energies over many k-points. This would give us a band structure.
Besides this, the calculation would print out a Fermi energy and Fermi energy is related to Fermi momentum as given in scienceworld.wolfram. com/physics/FermiMomentum.html
My first question is How does ABINIT obtain the Fermi energy? Secondly, can I directly convert ABINIT's Fermi energy with the Fermi momentum as given in the above link?
I am the first to admit that I should post this question in abinit forums. Unfortunately, support is a little slow there. I am simply banking on someone who has worked with these kinds of codes before and might have some idea how the Fermi energy was calculated in terms of k-points and energies. Thanks so much for your time.
I run the software ABINIT. It allows one to model solids as a plane-wave pseudopotential. Since it is based on first principles DFT, we are able to obtain the energies over many k-points. This would give us a band structure.
Besides this, the calculation would print out a Fermi energy and Fermi energy is related to Fermi momentum as given in scienceworld.wolfram. com/physics/FermiMomentum.html
My first question is How does ABINIT obtain the Fermi energy? Secondly, can I directly convert ABINIT's Fermi energy with the Fermi momentum as given in the above link?
I am the first to admit that I should post this question in abinit forums. Unfortunately, support is a little slow there. I am simply banking on someone who has worked with these kinds of codes before and might have some idea how the Fermi energy was calculated in terms of k-points and energies. Thanks so much for your time.