[CP2K-user] electron-density
Matt W
mattwa... at gmail.com
Wed Jul 17 08:24:35 UTC 2019
https://www.cp2k.org/tools:cubecruncher
can probably be made to do most of what you want.
On Wednesday, July 17, 2019 at 8:56:19 AM UTC+1, Anna Anic wrote:
>
> Dear All,
>
> I have a question concerning the analysis of the electron density cube
> file. How can I get the total number of electrons in a certain region of my
> system, meaning is there a tool that integrates the density for given z
> values?
> The system contains a salb+waterbilayer and I want to sum the values up
> between those boundaries.
> Thanks in advance
>
> Greetings,
> Anna
>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20190717/2f784f19/attachment.htm>
More information about the CP2K-user
mailing list