[DFTB-Plus-User] How to get charge density difference by DFTB.

[Bálint Aradi]

Dear 孙萍萍,

> I don't know how to compute charge density difference between two
fragments,
> I want to plot charge density difference by using two different colors to show
> the increase and decrease of the electronic density.
> I hope to get your help.

Plot the charge density for the two objects and build the difference via
cubemanip.

  Best regards,

  Bálint


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b_aradi/


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