[CP2K-user] cube files

Valera Veryazov valera.... at gmail.com
Thu May 20 19:05:40 UTC 2021

we are running a small project, trying to match numbers generated as a cube 
file from CP2K and from Molcas/OpenMolcas. 
A first impression: the pictures looks pretty similar, but the actual 
numbers are awfully different. Is it possible to get any help on that?

   Thanks a lot!
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