~~NOCACHE~~

====== HOWTOs ======

<note important>Most howtos have been moved to https://manual.cp2k.org.</note>

===== Installation =====

  * [[https://github.com/cp2k/cp2k/blob/master/INSTALL.md|How to Compile CP2K]]
  * [[howto:compile_with_cuda|How to Compile CP2K with CUDA Support]]
  * [[howto:install_with_plumed|How to Compile and Install CP2K with PLUMED]]
  * [[howto:compile_on_windows_with_cygwin|How to Compile and Install CP2K on Windows with Cygwin]]
  * [[howto:compile_on_windows|How to Compile CP2K on Windows]]
  * [[howto:compile_on_macos|How to Compile CP2K on macOS]]
  * [[howto:compile_on_cray_cscs|How to Compile CP2K on CRAY XC40/50 at CSCS]]
  * [[howto:build and run CP2K containers|How to build and run CP2K containers]]
 
===== Basic Topics =====

  * [[howto:wiki|How to use the Wiki]]
  * [[howto:static_calculation|How to Calculate Energy and Forces]]
  * [[howto:converging_cutoff|How to Converge the CUTOFF and REL_CUTOFF]]
  * [[howto::running_qe_computation| How to run QE types of calculations with CP2K and SIRIUS]]
  * [[howto:gethelp|How to ask a question on Google groups]]
  * [[howto:dft+u|How to run a DFT+U calculation]]

===== Advanced Topics =====

  * [[https://brehm-research.de/spectroscopy|How to calculate vibrational spectra from AIMD]] with CP2K and [[http://www.travis-analyzer.de/|TRAVIS]] (Updated 2018).
  * [[https://brehm-research.de/bqb|Lossless compression of trajectories and Cube files - the bqb format]].
  * [[howto:pgo | How to build with profile guided optimization]]
  * [[howto:stm | How to generate STM images from CP2K simulation]]
  * [[howto:cp2k_omen | How to perform DFT+NEGF transport calculations with CP2K and OMEN]]
  * [[howto:shifter|How run with Shifter / Docker]]

===== Applications / Case Studies =====

  * [[ science | Example published work using CP2K ]]