Hello all,
I have questions about the LDA+U method
1- When I do my test to found the right value for the U parameter of the different atomic species, have I to vary the U value for all my atoms in the same time? to get the right ones. or I have to do a test for each specie independently? I mean change the value for one and give a zero value for the others?
2-How can I know that I have the right value of U from the test!
Thanks in advance for your kindly answers
Zaz
LDA+U
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Re: LDA+U
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