[CP2K-user] Dipole correction needs more vacuum space above the surface

ASSIDUO Network lenardc... at gmail.com
Wed Feb 17 08:35:48 UTC 2021

Hey everyone. I am trying to perform a geometry optimization of the 
adsorption of CO onto Au (6 layers in total). When I perform the simulation 
without additional dipole correction, the following input file runs fine, 
however, when I include a dipole correction, I get the following error 

"Dipole correction needs more vacuum space above the surface"

I've gone as far as increasing the vacuum space above the surface from 
about 15 A to 45 A, and I still get the error message.

Any help would be appreciated.

Much appreciated,
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210217/8a814736/attachment.htm>
-------------- next part --------------
A non-text attachment was scrubbed...
Name: gold.inp
Type: chemical/x-gamess-input
Size: 4895 bytes
Desc: not available
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20210217/8a814736/attachment.inp>

More information about the CP2K-user mailing list