Hello everyone, I am trying to model the effect of strain on the band structure. Is it acceptable/realistic to:
1) Model the band structure in the equilibrium state 2) Expand or contract the lattice constant and all the atoms within the unit cell proportionately 3) Do a structural relaxation calculation of the strained system 4) Band structure calculation based on the results of the structural relaxation Or is there a better or more standard way of doing this? Thanks, Luke
