[CP2K-user] [CP2K:17262] Unknown keyword in VORONOI section

Florian Pabst email.to.pabst at gmail.com
Sat Jul 2 13:50:58 UTC 2022


Dear all,

when trying to print out molecular properties obtained via the Voronoi 
integration in the VORONOI section using the keyword MOLECULAR_PROPERTIES, 
I get the error message  
"found an unknown keyword MOLECULAR_PROPERTIES in section VORONOI", 
although it should work according to the manual. Likewise, the 
MOLPROP_FILE_NAME keyword gives an error, while other keywords from the 
VORONOI section work. I tried the three pre-compiled .ssmp versions of cp2k 
since the Voronoi section was implemented, i.e. versions 8.1, 8.2 and 9.1.
Can anybody help me with this?
Thanks in advance,

Florian

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