HSE for metals
Posted: Wed Sep 29, 2010 10:31 am
Could anyone share their experience, or point me to a discussion in the literature, about the performance of screened hybrid functionals (e.g. HSE06 in VASP) in the description of metallic systems?
I am interested in the agreement with experiments in terms of electronic structure, lattice parameters, defect formation energies, cohesive energies, etc.
Many thanks.
I am interested in the agreement with experiments in terms of electronic structure, lattice parameters, defect formation energies, cohesive energies, etc.
Many thanks.