[Pw_forum] Strain Modeling

[Luke Thulin]

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