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How to find material's bonding strength by Bader charge analysis?

https://henkelmanlab.org/forum/viewtopic.php?t=3167

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How to find material's bonding strength by Bader charge analysis?

Posted: Mon Aug 28, 2017 3:13 pm
by zeeshan039
I am interested to find the Bimetallic material's bonding strenght. I have found convalent and mettalic bonding in Fe4Al13 through elecron localization function and charge density difference method. Now is it possible to calculate bonding strength of this material using bader charge analysis?

Re: How to find material's bonding strength by Bader charge analysis?

Posted: Thu Aug 31, 2017 8:45 pm
by graeme
We are not experts on this kind of analysis. Our approach would be to calculate bond strengths directly.
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