[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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