Vacuum level for charged systems
Nuri Yazdani
nuri.a.... at gmail.com
Thu Feb 2 18:08:42 UTC 2017
Its presumably harmless to use a periodic poisson solver if you have a
neutral system and a large enough cell size, but with the charge one would
need quite a ginormous cell size for this to not matter..
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20170202/8be42e6c/attachment.htm>
More information about the CP2K-user
mailing list