Dear Siesta Developers and Users.
It seems that 'SaveBaderCharge' instruction does not work properly in spin polarized calculation. Siesta (at least v. 3.1, 3.2 and trunk-433) produces 'SystemLabel.BADER' file with charge for a single spin component only (or sum of both). I expected the 'SystemLabel.BADER' file to have the same structure as 'SystemLabel.RHO', which is not the case in spin polarized calculation. Is there any simple way to fix this problem ?
Best regards. Mariusz.
