SCCS Continuum solvation model

Nico Holmberg holmbe... at gmail.com
Wed Dec 3 06:15:55 UTC 2014


Dear CP2K users & developers, 

I am interested in trying out the SCCS implicit solvent model by Andreussi 
et al. ("Revised self-consistent continuum solvation in 
electronic-structure calculations", http://dx.doi.org/10.1063/1.3676407). 
According to the online input reference manual, this feature should be 
implemented in CP2K version 2.6, revision 14482 
(http://cp2k.web.psi.ch/manual/devel/CP2K_INPUT/FORCE_EVAL/DFT/SCCS/ANDREUSSI.html). 
However, when I downloaded the said version from the SVN repository, I 
found no mention of the method in the source code. I also tried looking at 
the SVN change logs for the bibliography and input parsing files 
(common/bibliography.F and input_cp2k_dft.F) but again I found nothing. 

If anyone is familiar with the current status of the SCCS method 
implementation I would appreciate any details you can provide.


Regards,

Nico Holmberg
Doctoral candidate
Department of Chemistry, Aalto University
Finland 


-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20141202/b5851c55/attachment.htm>


More information about the CP2K-user mailing list