CCL:G: Mixed Gaussian and plane-wave DFT
- From: "Andrew Scott Rosen"
<rosen..u.northwestern.edu>
- Subject: CCL:G: Mixed Gaussian and plane-wave DFT
- 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