Bader charge and spin in noncollinear calculations

Bader charge density analysis

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Neutrino
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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!
graeme
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Re: Bader charge and spin in noncollinear calculations

Post by graeme »

Yes, it should be fine.
Neutrino
Posts: 18
Joined: Mon Mar 21, 2011 6:39 pm

Re: Bader charge and spin in noncollinear calculations

Post by Neutrino »

Thank you, Prof. Graeme!
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