[CP2K-user] [CP2K:17645] Electron count?

Thomas Kühne tkuehne at gmail.com
Sun Sep 11 19:31:12 UTC 2022


Dear Frank, 

grep for "density on regular grids“ in the output. 

Best, 
Thomas Kühne

> Am 11.09.2022 um 18:13 schrieb mdsimula... at gmail.com <mdsimulationgroup at gmail.com>:
> 
> Hello,
> 
> I've seen a couple posts, such as this one: https://groups.google.com/u/1/g/cp2k/c/Vr0B84q13lA/m/DjeexaQ_AAAJ
> 
> that mentions the electron count...where do I find that information in the output?
> 
> Thanks,
> Frank
> 
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==============================
Thomas D. Kühne
Dynamics of Condensed Matter
Chair of Theoretical Chemistry
University of Paderborn
Warburger Str. 100
D-33098 Paderborn
Germany
thomas.kuehne at upb.de
+49/(0)5251/60-5726

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