Hello,
Could somenone tell me in some detail how can I calculate U and J parameters in the LDA+U method from DFT calculations in VASP for UO2. I found in one of the posts that they had used a value of 4.5 for U and .91 for J. Can I calculate U from J ?
Please suggest.
Thank You,
Pankaj
U and J parameters in LDA+U
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pankajnerikar
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U and J parameters in LDA+U
Last edited by pankajnerikar on Thu Jul 20, 2006 2:20 pm, edited 1 time in total.
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support_vasp
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Re: U and J parameters in LDA+U
Hi,
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