[Wien] a question about LDA+U

morteza jamal m_jamal57 at yahoo.com
Thu Oct 25 14:56:11 CEST 2007


Dear Dr Rodriguez,
the effect of (U-J) will be negative when we take U=0
and J=0.3[LDA+(U-J) change to LDA-(U-J)] therefore we
can conclude for example 3d electrons will be near to
FERMI ENERGY when we see DOS of 3d electrons.
you think,is it true?
Can we justify it?
Your's
Morteza Jamal

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