[CP2K-user] [CP2K:22053] Re: CP2K made simple

[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.

在2026年1月15日星期四 UTC+8 21:30:23<Frederick Stein> 写道：

> 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
>

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