Search found 3 matches
- Tue Jul 24, 2018 1:34 pm
- Forum: Bader
- Topic: Very Large Charges From Bader
- Replies: 3
- Views: 19358
Re: Very Large Charges From Bader
thanks graeme!
- Mon Jul 23, 2018 8:38 pm
- Forum: Bader
- Topic: Very Large Charges From Bader
- Replies: 3
- Views: 19358
Re: Very Large Charges From Bader
INCAR did not attach to original post.
- Mon Jul 23, 2018 8:37 pm
- Forum: Bader
- Topic: Very Large Charges From Bader
- Replies: 3
- Views: 19358
Very Large Charges From Bader
I have been trying to run a bader analysis on my system, but every time I do I get large positive charges. I am using VASP and run `chgsum.pl AECCAR0 AECCAR2` then run `bader CHGCAR -ref CHGCAR_sum`. INCAR also attached. I get similarly bad results when I use cube files from quantum espresso (though...