[Wien] Dealing with 5f electron

[Stefaan Cottenier]

> I am a new user of Wien2k, moreover not from hardcore physics 
> background ... I am trying to optimize the Uranium Dioxide structure. 
> Is there any (particular precaution) and/or (systematic measure) for 
> dealing with the 5f electron elements like uranium.

Have a look at:

Magnetic structure and electric-field gradients of uranium dioxide: An 
ab initio study
R. Laskowski, G.K.H. Madsen, P. Blaha, K. Schwarz, Physical Review B 69, 
140408(R) (2004)

Stefaan



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