[Wien] Error in calculating Optic
b_bennacer at yahoo.co.uk
Sun Mar 27 17:25:22 CEST 2005
For systems without inversion symmetry one has to do some tricks and mimick a spin polarised calculation as explained in wien2k UG page 129.
Chukwuemeka Okoye <okoyecmi at yahoo.com> wrote:
I tried to run:
x opticc -so
after following the procedure in the UG but got the following message.
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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