Documentation & Help
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- Published on Thursday, 20 January 2011 17:19
- Written by Super User
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Documentation & Help
While there is no manual, the following documentation is available:
- Download and install CP2K
- Input reference manual. Direct links:
- Trunk version (latest CP2K source code version)
- Branch version 2.4
- Branch version 2.3
- Branch version 2.2
- Branch version 2.1
- Help forum on Google Groups
- Goedecker-Teter-Hutter (GTH) pseudopotential parameter sets (CP2K format, CPMD format, ABINIT format)
- Bug reporting has traditionally been done via the CP2K Google group. Please provide all necessary information to reproduce the bug, including the needed inputs!
- The Sourceforge project page
- The tracker for bugs and feature requests (new!)
- Gaussian basis sets generator for Quickstep
Tutorials
Several CP2K tutorials have been held. Lectures and exercises from these are also useful starting points.
Technical Reports
- CP2K - Scalable Atomistic Simulations for the PRACE Community, I. Bethune, A. Carter, K. Stratford, P. Korosoglou, PRACE White Paper, 2012
- CP2K - Sparse Linear Algebra on 1000s of Cores, I. Bethune, HECToR dCSE Report, Jan 2012
- Million Atom KS-DFT with CP2K, I. Bethune, A. Carter, X. Guo, P. Korosoglou, PRACE White Paper, 2011
- Improving the scalability of CP2K on multi-core systems, I. Bethune, HECToR dCSE Report, Sep 2010
- Improving the performance of CP2K on HECToR, I. Bethune, HECToR dCSE Report, Jul 2009