I wish to compute the band structures of DyAl2 and Dy0.8Er0.2Al2 within LSDA+U approximation. Can any one please tell me how to decide the U and J parameters for Dy and Er? Is any value in between 5-8 eV is alright for U.
You might have a look at http://dx.doi.org/10.1103/PhysRevB.74.014409 , where it is argumented in Sec. IV.B that U-J=0.63 Ry (8.6 eV) is a good starting point for lanthanides.
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