Very quick question regarding using weight method in VASP
Posted: Thu Nov 17, 2016 5:01 am
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.
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.