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localised and itinerant electron specification
Date: 2014/06/06 23:53
Name: Tamal Goswami   <>

Dear Sir,

I am doing calculation on the magnetic nature of superconducting material UGe2. Most theories suggest that the 5f electrons to be taken care of as partly localized and partly itinerant. Is there any way to treat the 5f electrons in localized itinerant model using OpenMx? Please suggest.

Thanks in advance.

Tamal Goswami
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Re: localised and itinerant electron specification ( No.1 )
Date: 2014/10/27 22:18
Name: T. Ozaki


As explained in the manual LDA, GGA, and plus U are available for the
exchange-correlation functional. Unfortunately, I have no serious experience
in treating 5f-electrons of U.

Best regards,


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