what's the difference between AECCAR2 and CHGCAR?

Bader charge density analysis

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pengcx
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what's the difference between AECCAR2 and CHGCAR?

Post by pengcx »

I want to konw the distribution about total charge (include core and valence electrons) on FFT-grid NGXF, NGYF, NGZF, similar the CHGCAR (the valence distribution on FFT-grid).
Can I use the sum of AECCAR0 and AECCAR2, ie does CHGCAR_sum represents the distribution of total charge on FFT-grid ? I wonder the difference between AECCAR2 and CHGCAR?
Thanks your answer.
graeme
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Re: what's the difference between AECCAR2 and CHGCAR?

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