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.
Too small ELF values for metallic bulk
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Tiger-paw
Too small ELF values for metallic bulk
Last edited by Tiger-paw on Mon Jul 23, 2007 2:37 am, edited 1 time in total.
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support_vasp
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Re: Too small ELF values for metallic bulk
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