Search found 2 matches
- Fri Nov 25, 2016 2:44 pm
- Forum: Bader
- Topic: Bader analysis-spin polarised error
- Replies: 2
- Views: 16819
Re: Bader analysis-spin polarised error
Thank You Sir.
- Thu Nov 24, 2016 5:04 pm
- Forum: Bader
- Topic: Bader analysis-spin polarised error
- Replies: 2
- Views: 16819
Bader analysis-spin polarised error
Hello, I am doing Bader charge analysis with a spin polarised CHGCAR. When I do the usual Bader CHGCAR -ref CHGCAR_sum, it works fine, however when I use the chgsplit.pl on CHGCAR to get CHGCAR_mag and then do Bader CHGCAR_mag -ref CHGCAR_sum, I get the following error. "CALCULATING BADER CHARG...