https://www.cp2k.org/ 2026-04-05T16:27:39+00:00 https://www.cp2k.org/ https://www.cp2k.org/_media/wiki:logo.png text/html 2020-08-21T10:15:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/events:2016_summer_school:gpw?rev=1598004913&do=diff # Matt Watkins for the CP2K-UK summer school 2016 # # heavily lifted from Marcella Iannuzzi's previous presentations, e.g # https://www.cp2k.org/_media/events:2015_cecam_tutorial:iannuzzi_gpw_gapw_b.pdf # # Matt Watkins # School of Mathematics and Physics, University of Lincoln, UK $n(\mathbf{r})$$$n(\mathbf{r}) \leftrightarrow V_{ext}(\mathbf{r},\mathbf{R})$$$$E[n] \geq E[n_{GS}]$$$E_{tot}[n] = E_{kin}[n] + E_{ext}[n] + E_{H}[n] + E_{XC}[n]$$E_{kin}$$E_{ext}$$E_{H}$$E_{xc}$$$ n(\mathbf{r}) = … text/html 2020-08-21T10:15:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/events:2016_summer_school:index?rev=1598004913&do=diff CP2K Summer School 2016 Material from the CP2K Summer School held at King's College London, 23rd-26th August 2016 is listed below. Slides * [Introduction and Overview of CP2K], Iain Bethune * [Running CP2K Calculations], Iain Bethune * [Setting up computer accounts], Iain Bethune * [Introduction to Exercises], Iain Bethune * [Building CP2K], Iain Bethune * Gaussian and (Augmented) Plane Waves Method, Matt Watkins text/html 2020-08-21T10:15:13+00:00 Anonymous (anonymous@undisclosed.example.com) https://www.cp2k.org/events:2016_summer_school:qmmm?rev=1598004913&do=diff # Matt Watkins for the CP2K-UK summer school 2016 Multiscale modelling - mixed hamiltonians and external fields in CP2K Matt Watkins School of Mathematics and Physics, University of Lincoln, UK <https://www.cp2k.org> Flexible modelling It is a very common problem that we need to describe an imhomogeneous system, and we may be more interested in some parts than others. However, the rest of the system is still important.$z$$$ \big{<} \phi_a \big{|} \hat{O} \big{|} \phi_b \big{>} $$$$ E_…