[Wien] Optical calculations with spin-orbit

[Chukwuemeka Okoye]

Dear Wien users,

I am calculating optical properties including spin-orbit using about 12,000k-points in the IBZ using Wien2k_02.  I have followed the procedure in the UG. However, when I got to x opticc -so -up, it crashed with following error message:

Allocate error 491: Array is already allocated
In procedure: mom_mat
At line : 240
End of diagnostics.
 
The calculation goes on well with-out spin orbit included.

Please , I am looking forward to your kind assistance

C M I Okoye









Chukwuemeka M. I. Okoye,

Department of Physics and Astronomy,

University of Nigeria,Nsukka,

Enugu State,NIGERIA

234-042-771611

		
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