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The VASP manual said that PCDAT contains average PCF, but this file has only one column data. I do not clearly understand what it means.

I am stuck with PCDAT as well. I am doing MD with Cu surface and water. As I understand, average PCF means, that all pair correlation functions are put together withing one function. This is a very nice feature to compare the results to neutron diffraction experiments but it is also a great pity loosing much and valuable informations about the individual pair correlations (Cu-Cu, Cu-O, Cu-H,...).

Is there a way to get this kind of informations directly from VASP output without any external program like vmd or self-written programs? If yes, how? If no, why not implement it to VASP?

Dear Zhuanghl

Did you find an answer to your question. This is also my problem too.

Thank you.