[CP2K:6130] Non-integer total number of Alpha/Beta Electrons

M. Brehm brehmin... at googlemail.com
Wed Feb 18 08:49:24 UTC 2015

Ok, this sounds sensible. I was not thinking about it in this way. Then the 
default is of course chosen in the right way.

Best regards,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20150218/39467ead/attachment.htm>

More information about the CP2K-user mailing list