<div>Dear PWSCF users,</div>
<div> I am calculating the high-frequency dielectric constant of SrTiO3. Using the method given in the example31, I calculate D[E=0.001a.u.] and D[E=0] and eps_inf=4*pi*(D[E=0.001a.u.]-D[E=0])/(0.001a.u.*Omega) + 1 where Omega is the volume of the unit cell. </div>
<div> I sample the Brillouin zone by 4x4x8 (uniformly distributed) and obtain: D[E=0.001 a.u.] = 0.155 and D[E=0] is almost zero, therefore eps_inf=6.0 which is much smaller than experimental values.</div>
<div> Did I do the calculation correctly? Does anyone have experience about calculating high-frequency dielectric constant of SrTiO3?</div>
<div> Thank you very much.</div>
<div> </div>
<div>Hanghui</div>
<div>Department of Physics,</div>
<div>Yale University</div>