<html><head></head><body><div style="font-family:Helvetica Neue;font-size:medium;"><div>Dear all,</div><div><br></div><div>I had a few questions regarding the calculation of spontaneous polarization.</div><div><br> </div><div>First, for sponteous polarization, if the displacement are larger or
smaller, the spontaneous polarization will remain same or it will
change? if it changes how do we say that anyone of those is the
spontaneous polarization of that specific material?<br><div><br></div> Second, for calculating the effect of strain i.e. we change any one lattice parameter by x%, would the atoms still need to be displaced as is done in non-centro-symmentric for spontaneous polarization or only the lattice parameter will be changed?</div><div><br></div><div>Third, if the atoms are to be displaced in non-centro-symmetric case, should it be along the axis in which strain has been introduced?</div><div><br></div><div>It would be very helpful to have answer to any of these questions.</div><div><br></div><div>Regards</div><div><br></div><div>Jameela Fatheema</div></div></body></html>