[Wien] Interstitial hybridization
Andres E Becerra-Toledo
andbecer at gmail.com
Wed Feb 16 23:06:23 CET 2011
Hello,
I am running a calculation for an oxide in hybrid mode (with on-site exact
exchange) and I am trying to figure out whether there is hybridization
between the anion p and the cation d in the interstitial region. Is there a
straightforward way to do this?
Thanks for your time,
Andres Becerra
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