Very quick question regarding using weight method in VASP

Bader charge density analysis

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tp.joe
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Very quick question regarding using weight method in VASP

Post by tp.joe »

Hi,

I know that in VASP for accurate bader analysis, we need to include core charges and hence we do,

bader CHGCAR -ref CHGCAR_sum

I am wondering if we want to use the weight method is typing

bader -b weight CHGCAR -ref CHGCAR_sum

the correct way to do it or would this result in weight method of only CHGCAR in reference to CHGCAR_sum? If so, what would be a correct way to write the command?

Thank you sir.
graeme
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Re: Very quick question regarding using weight method in VASP

Post by graeme »

yes, that's right.
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