CP2K made simple

[Frederick Stein]

Dear users,

If CP2K or parts of it still feel difficult to you, we have great news: Our CP2K manual paper "The CP2K Program Package Made Simple" was finally released

https://pubs.acs.org/doi/10.1021/acs.jpcb.5c05851 

and will help you with how to compile CP2K, how to setup single-point calculations with DFT, SIRIUS, semiempirical methods, embedding, QM/MM, ..., how to perform simulations (ab-initio MD, Monte Carlo, ...), band structure calculations, spectroscopy and much more.

If there are still questions left or something does not work as anticipated, please ask as usual here in the Google group.

Regards,

Frederick for the CP2K developers

[yis...@163.com]

We are grateful for the ongoing efforts of the CP2K development team. This tutorial has enabled us to utilize CP2K more effectively.