[Wien] Divalent/trivalent Al2Eu
John Bevington
jbev85 at hotmail.com
Sat May 23 00:40:24 CEST 2009
Dear WIEN2k users,
I'm calculating EFG's for Al2Eu with cadmium impurities. When I use GGA I get EFG values that are consistent with trivalent Eu. Is there a way to force Eu to be divalent? Or should I use a hybrid potential instead of GGA? Any suggestions/comments would be greatly appreciated.
Thanks,
John Bevington
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