ABINIT Discussion Forums

Posted: **Wed Mar 17, 2010 8:49 am**

Dear all,
the dielectric constant is anisotropic for wurtzite-type ZnO. I found that the dielectric constant printed in the out file is direction independent. Why? Is the isotropic value [(epsilonXX+epsilonYY+epsilonZZ)/3] presented? Thank you.

Posted: **Tue Mar 23, 2010 11:21 am**

No the dielectric constant is calculated along one direction, which is supposed to mimic the averaging...
By default, the direction is (123). I think I remember you can change this value by specifying the keyword "qptdm".
Let us know if this is still working.

Fabien

Posted: **Wed Mar 31, 2010 5:13 am**

Dear Bruneval,
thank you for your reply. Your suggestion is being tested by us.

ABINIT Discussion Forums

Is the dielectric constant presented in its isotropic value?

Is the dielectric constant presented in its isotropic value?

Re: Is the dielectric constant presented in its isotropic va

Re: Is the dielectric constant presented in its isotropic va