New: ab-initio

kesterwong (30)in bader • 7 years ago
Calculating charge transfer using the Bader analysis method in VASP
A step-by-step guide to performing charge transfer calculations on VASP, using the Bader analysis method. There can be two methods of extracting the charge transfer; (1) without the consideration of…
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Calculating charge transfer using the Bader analysis method in VASP