Hi,
The PCDAT file gives total pair correlation function, but can vasp output partial pair correlation functions as well?
Partial Pair correlation functions
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powert
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mghosh
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Re: Partial Pair correlation functions
I am also looking for a reply to this question.
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henrique_miranda
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Re: Partial Pair correlation functions
Currently it is not possible to obtain the partial pair correlation functions from VASP.
To obtain this you need to find or write your own tool to process the XDATCAR:
wiki/index.php/XDATCAR
To obtain this you need to find or write your own tool to process the XDATCAR:
wiki/index.php/XDATCAR