CP2K Open Source Molecular Dynamics

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howto [2018/12/04 16:17] – [Advanced Topics] 130.60.136.203howto [2019/08/09 11:48] – Added a link to the tutorial explaining conversion from QE to CP2K input mtaillefumier
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   * [[howto:static_calculation|How to Calculate Energy and Forces]]   * [[howto:static_calculation|How to Calculate Energy and Forces]]
   * [[howto:converging_cutoff|How to Converge the CUTOFF and REL_CUTOFF]]   * [[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:geometry_optimisation|How to run Geometry Optimisation]]   * [[howto:geometry_optimisation|How to run Geometry Optimisation]]
   * [[howto:md|How to run Molecular Dynamics]]   * [[howto:md|How to run Molecular Dynamics]]
howto.txt · Last modified: 2024/02/24 10:14 by oschuett