average potential at core in vasprun

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Emmanuel
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average potential at core in vasprun

#1 Post by Emmanuel » Wed Jul 13, 2016 3:27 pm

Hello,

Could anyone tell me where the average electrostatic potential at core (given in the OUTCAR) can be found in the vasprun.xml file?

Thanks.

Emmanuel

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Re: average potential at core in vasprun

#2 Post by admin » Mon Jul 18, 2016 2:49 pm

Extracted from OUTCAR and placed in vasprun.xml are mostly quantities
which are further treated using p4v. Not all calculated data are taken over.
Average electrostatic potential at core is not there.

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Re: average potential at core in vasprun

#3 Post by Emmanuel » Wed Jul 20, 2016 1:07 pm

Thanks for the info. I thought that the OUTCAR was created using the vasprun.xml file, thus my previous question.

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