[Pw_forum] imaginary dielectric tensor

[H.Y Geoffrey Tse]

Dear users,

 

I was trying to produce a plot the imaginary part of dielectric constant
against the frequency (eV).

 

I performed the SCF and then EPSILON calculation on a wurtzite bulk ZnO
(after relaxation). 

The calculated bandgap for GGA-PBE is around 0.5-1.0eV so I would expect the
threshold of the graph should be around that value.

However, the threshold is found starting at zero. Something is not right
here.

 

I enclose my input and output files. Could you shed some light?

 

Best,

Geoffrey

 

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H.Y Geoffrey Tse, Postdoctoral, 

Room N202, Physics Building

Peking University

Haidian District

Beijing 100871

P.R China

 

Tel: (+86) 18811792348

Email: geoffrey.tse at pku.edu.cn

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