[CP2K-user] electron-density

Anna Anic aan... at gmail.com
Wed Jul 17 07:56:05 UTC 2019


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
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