[Wien] Error in calculating Optic

bennacer badis b_bennacer at yahoo.co.uk
Sun Mar 27 17:25:22 CEST 2005

Dear Chukwuemka;
For systems without  inversion symmetry one has to do some tricks and mimick a spin polarised calculation as explained in wien2k UG page 129.
Badis Bennecer

Chukwuemeka Okoye <okoyecmi at yahoo.com> wrote:
Dear users,
I tried to run:
x opticc -so 
after following the procedure in the UG but got the following message.
Address Error
End of Diagonistics.
My compound does not have inversion.
Please I need suggestions on how to overcome the problem.
C M I Okoye

Chukwuemeka M I Okoye

Department of Physics and Astronomy,

University of Nigeria,Nsukka,

Enugu State, Nigeria.


+234 42 771611


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