Very quick question regarding using weight method in VASP

Bader charge density analysis

Moderator: moderators

Post Reply
tp.joe
Posts: 14
Joined: Fri Oct 07, 2016 7:10 am

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
Site Admin
Posts: 2256
Joined: Tue Apr 26, 2005 4:25 am
Contact:

Re: Very quick question regarding using weight method in VASP

Post by graeme »

yes, that's right.
Post Reply