[Wien] (no subject)

Jagrati Sahariya jagrati.sahariya at gmail.com
Sat Jun 15 11:47:33 CEST 2013


Dear Wien Users,

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.

Thanks

With regards
Jagrati Sahariya
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