[Wien] Error in calculating Optic

[bennacer badis]

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.
 
Thanks 
C M I Okoye



Chukwuemeka M I Okoye

Department of Physics and Astronomy,

University of Nigeria,Nsukka,

Enugu State, Nigeria.

+2348045257257

+234 42 771611

 

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