From owner-chemistry@ccl.net Mon Apr 4 04:48:02 2016 From: "Manjunath Ningappa Wari sm5wari _ gmail.com" To: CCL Subject: CCL:G: Suggestion regarding use of volume key word to identify cavity radius Message-Id: <-52129-160404044605-28227-lpniXhCdMNwtUyzmWHAH3g%server.ccl.net> X-Original-From: "Manjunath Ningappa Wari" Date: Mon, 4 Apr 2016 04:46:03 -0400 Sent to CCL by: "Manjunath Ningappa Wari" [sm5wari##gmail.com] I am using volume key word to identify cavity radius a along with IEFPCM solvation. In g09 manual it is clearly mentioned that since, more accurate solvent models are available in Gaussian 09, this keyword has applicability only in preparation for frequency calculations using SCRF=Dipole. So i request plz suggest me whether it is completely wrong to use volume key word with IEFPCM method.