Dear All,
Why is the ion charge in OUTCAR afer SCF calculation so not accurate? For exaple, when I sdudied GaAs, and I found the As ion charge is around 2.8 e which is far from its valance electron number:5.
It there any way to improve it. By the way, I tried to increase the Wig-Seits radius, and it did not help much.
Thanks in advance.
Ion charge
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support_vasp
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Re: Ion charge
Hi,
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