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Too small ELF values for metallic bulk
Posted: Mon Jul 23, 2007 2:37 am
by Tiger-paw
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.
Re: Too small ELF values for metallic bulk
Posted: Wed Sep 11, 2024 2:04 pm
by support_vasp
Hi,
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