[CP2K-user] [CP2K:18975] Re: charge density difference

Marcella Iannuzzi marci.akira at gmail.com
Mon Jun 26 07:59:39 UTC 2023

Dear Huan Bi,

This feature is not available in CP2K.
Kind regards

On Saturday, June 24, 2023 at 3:43:37 PM UTC+2 HUAN BI wrote:

> Dear All,
> I want to calculate the charge density difference. Before using VASP, you 
> can enter the following requirements via the command of LCHARG = .TRUE. :
> A charge difference can be output, using the overall charge density minus 
> the charge density of individual atoms.
> Now I want to output the above file through CP2K, what command should I 
> write in the output part of the energy calculation?
> Huan Bi

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