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I wanted to calculate the the band decomposed charge density for one of the bands across all Kpoints and generated the PARCHG and ELFCAR file in two different runs.

I wanted to plot it using VMD/VESTA and i find that i get only the positive density and not the negative density.

I am surprised and wanted to know, if PARCHG and ELFCAR files prodcues only the total charge density rather than Spin UP and Down cases.

I wanted to say that i am beginner for these kind of calculations, and the preconverged wavecar is optained by setting ISPIN=2.

Any suggestions are appreciated.

Hi,
Did you figure out what the answer to your question was?
Thank you!

I recently posted a MATLAB-script on this forum for plotting these files, maybe that helps?

[quote="akulkarni34"]Hi,
Did you figure out what the answer to your question was?
Thank you![/quote]


Hi,

I am also having the problem, only got positive density using vesta.
Did you know what the problem is?