UT theoretical chemistry code forum

Thank You Sir.

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...