[Wien] LDA+U in spin polarized systems

[Stefaan Cottenier]

>I have a question about the application of LSDA+U in spin polarized systems. 
>When I apply LSDA I have BS and DOS different for spin up and spin down ( 
>i.e. a spin polarized system). When I apply LSDA+U these properties are the 
>same for up and down spins. Is it possible ? have someone observe this 
>behavior before ? 
>
>  
>
LDA+U *must* be done for spin-polarized calculations only (even for 
materials which are non-magnetic). Did you maybe use the runsp_c_lapw 
script? That one is meant for non-magnetic systems, but treats them 
magnetically and forces the moments to be zero, in order to be able to 
apply LDA+U. But you shouldn't use that script for magnetic systems.

Stefaan


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