can the vasp code before 4.6.31 calculate Bader?

Bader charge density analysis

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ice_rain
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can the vasp code before 4.6.31 calculate Bader?

Post by ice_rain »

I learn from the forum that if one want to do Bader analysis, he must calculate the core charge. I want to know whether the version of vasp 4.6.31 is mandatory.
graeme
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Re: can the vasp code before 4.6.31 calculate Bader?

Post by graeme »

Version 4.6.31 or later is needed to write the core charges. In some cases, the core charge is essential for the accurate calculation of Bader charges.
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