UT theoretical chemistry code forum

Posted: **Wed Dec 17, 2014 1:59 am**

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!

Posted: **Wed Dec 17, 2014 2:27 am**

Yes, it should be fine.

Posted: **Wed Dec 17, 2014 3:17 pm**

Thank you, Prof. Graeme!

UT theoretical chemistry code forum

Bader charge and spin in noncollinear calculations

Bader charge and spin in noncollinear calculations

Re: Bader charge and spin in noncollinear calculations

Re: Bader charge and spin in noncollinear calculations