CP2K Open Source Molecular Dynamics

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howto [2019/08/09 11:48] – Added a link to the tutorial explaining conversion from QE to CP2K input mtaillefumierhowto [2019/10/15 16:10] – [Basic Topics] vrybkin
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   * [[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::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 Optimization]]
   * [[howto:md|How to run Molecular Dynamics]]   * [[howto:md|How to run Molecular Dynamics]]
   * [[howto:mp2|How to run MP2 Calculations]]   * [[howto:mp2|How to run MP2 Calculations]]
howto.txt · Last modified: 2024/02/24 10:14 by oschuett