<div>Dear all,</div><div><br></div><div>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 <br></div><div>"found an unknown keyword MOLECULAR_PROPERTIES in section VORONOI", although it should work according to the manual. Likewise, the <span>MOLPROP_FILE_NAME</span><span> 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.</span></div><div><span>Can anybody help me with this?</span></div><div><span>Thanks in advance,</span></div><div><span><br></span></div><div><span>Florian<br></span></div>
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