Too small ELF values for metallic bulk

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Tiger-paw

Too small ELF values for metallic bulk

#1 Post by Tiger-paw » Mon Jul 23, 2007 2:37 am

I calculated ELFCAR for fcc Ni bulk, and found ELF in the interstitial region is only about ~ 0.1. Shouldn't I expect ELF=~0.5 for metallic bonds, based on the definition of ELF?

Thanks for your attention.
Last edited by Tiger-paw on Mon Jul 23, 2007 2:37 am, edited 1 time in total.
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