[Wien] Error during optimization of spinel compound CoFe2O4

GM RAI gmrai at gcu.edu.pk
Tue Mar 22 08:45:39 CET 2016


Dear all we are facing the following trouble while optimization of spinel
compound.

ERROR status in OPT_vol__-2.0
>   stop error

 LAPW1 END
 LAPW1 END
 LAPW0 END

PS: We have did this calculation for -5 0 5 as well but found the same error



Kindly guide to overcome this problem.

Best wishes

-- 
Dr. G. Murtaza
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