how obtain the Charge density difference??

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weizz
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how obtain the Charge density difference??

#1 Post by weizz » Fri Jun 22, 2007 2:10 am

Hi,
when I calculate the electronic property, I find many articles to deal with the Charge density difference.
if I want to obtain this, which file will be needed? CHGCAR??
and how I can obtain the difference of charge density ??

about ploting the Charge density difference, who can give me some suggestions??

thanks
Last edited by weizz on Fri Jun 22, 2007 2:10 am, edited 1 time in total.

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how obtain the Charge density difference??

#2 Post by admin » Fri Jun 22, 2007 12:32 pm

take the differnec of the 2 CHGCAR files and plot it.
Last edited by admin on Fri Jun 22, 2007 12:32 pm, edited 1 time in total.

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