From owner-chemistry#* at *#ccl.net Wed Jul 25 23:44:01 2018 From: "Andrew Scott Rosen rosen:+:u.northwestern.edu" To: CCL Subject: CCL:G: Mixed Gaussian and plane-wave DFT Message-Id: <-53416-180725234257-23258-8yhTLioUIQ5JiRDvUWXKqQ|a|server.ccl.net> X-Original-From: "Andrew Scott Rosen" Date: Wed, 25 Jul 2018 23:42:55 -0400 Sent to CCL by: "Andrew Scott Rosen" [rosen]*[u.northwestern.edu] Dear compchem listserv, Does anyone here have familiarity with the mixed Gaussian and plane-wave (i.e. GPW) approach used in CP2K for periodic DFT? If so, what are the limitations of the GPW method in CP2K compared to periodic DFT codes that just use plane-waves, such as VASP? Are there any? Andrew