[CP2K-user] [CP2K:18018] dipole moment of optimized water

Rajendra Maharjan ryandramaharjan at gmail.com
Sun Nov 13 23:25:52 UTC 2022


Greetings,
I did geometric optimization of water molecule to find out its dipole 
moment. However, on changing the cell size under 'ABC', I am constantly 
getting different dipole moment. Does the dipole moment of optimized water 
depend on cell size?
Thank You

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/dbd1e90e-3c7f-452f-b246-3026b5798facn%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221113/e6cc0c6a/attachment-0001.htm>


More information about the CP2K-user mailing list