Bader charge and spin in noncollinear calculations

Bader charge density analysis

Moderator: moderators

Post Reply
Neutrino
Posts: 20
Joined: Mon Mar 21, 2011 6:39 pm

Bader charge and spin in noncollinear calculations

Post by Neutrino »

I'm performing non-collinear calculations using VASP and was wondering if the Bader code can analyze the CHGCAR generated by such calculations. If this is not implemented yet, any guidance on how to implement it will be very appreciated.


Thank you!
Top
graeme
Site Admin
Posts: 2290
Joined: Tue Apr 26, 2005 4:25 am
Contact:
Contact graeme

Re: Bader charge and spin in noncollinear calculations

Post by graeme »

Yes, it should be fine.
Top
Neutrino
Posts: 20
Joined: Mon Mar 21, 2011 6:39 pm

Re: Bader charge and spin in noncollinear calculations

Post by Neutrino »

Thank you, Prof. Graeme!
Top
Post Reply

Return to “Bader”