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

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

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