<div dir="ltr">Dear Matthias, I didn't realize the PSI development version was separate from the trunk version. Thank you for the clarification. I will continue following the commits. Regards, Nico Holmberg On Wednesday, December 3, 2014 9:35:23 AM UTC+2, Matthias Krack wrote:<blockquote class="gmail_quote" style="margin: 0;margin-left: 0.8ex;border-left: 1px #ccc solid;padding-left: 1ex;"><div dir="ltr">Dear Nico, you are referring to the local manual of the CP2K development version at PSI in which the SCCS model is in fact implemented. This implementation is not yet committed to the main CP2K repository, but I hope this will be the case soon. Just follow the commits to the main CP2K trunk version. Regards, Matthias On Wednesday, 3 December 2014 07:15:55 UTC+1, Nico Holmberg wrote:<blockquote class="gmail_quote" style="margin:0;margin-left:0.8ex;border-left:1px #ccc solid;padding-left:1ex"><div dir="ltr">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", <a href="http://dx.doi.org/10.1063/1.3676407" rel="external" target="_blank" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fdx.doi.org%2F10.1063%2F1.3676407\46sa\75D\46sntz\0751\46usg\75AFQjCNEJZ-sxXyJdP0pdhrzMeU6QYXy9tQ';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fdx.doi.org%2F10.1063%2F1.3676407\46sa\75D\46sntz\0751\46usg\75AFQjCNEJZ-sxXyJdP0pdhrzMeU6QYXy9tQ';return true;">http://dx.doi.org/10.1063/1.3676407</a>). According to the online input reference manual, this feature should be implemented in CP2K version 2.6, revision 14482 (<a href="http://cp2k.web.psi.ch/manual/devel/CP2K_INPUT/FORCE_EVAL/DFT/SCCS/ANDREUSSI.html" target="_blank" onmousedown="this.href='http://www.google.com/url?q\75http%3A%2F%2Fcp2k.web.psi.ch%2Fmanual%2Fdevel%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT%2FSCCS%2FANDREUSSI.html\46sa\75D\46sntz\0751\46usg\75AFQjCNG2FwbO-0FwORsJmnJAxWFTF7mMuA';return true;" onclick="this.href='http://www.google.com/url?q\75http%3A%2F%2Fcp2k.web.psi.ch%2Fmanual%2Fdevel%2FCP2K_INPUT%2FFORCE_EVAL%2FDFT%2FSCCS%2FANDREUSSI.html\46sa\75D\46sntz\0751\46usg\75AFQjCNG2FwbO-0FwORsJmnJAxWFTF7mMuA';return true;">http://cp2k.web.psi.ch/manual/devel/CP2K_INPUT/FORCE_EVAL/DFT/SCCS/ANDREUSSI.html</a>). 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 </div></blockquote></div></blockquote></div>