[CP2K-user] cube files
Valera Veryazov
valera.... at gmail.com
Thu May 20 19:05:40 UTC 2021
Hi,
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!
Valera
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