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howto [2018/12/04 16:17] [Advanced Topics]
howto [2019/10/15 16:10] (current)
vrybkin [Basic Topics]
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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:​geometry_optimisation|How to run Geometry ​Optimisation]]+  ​* [[howto::​running_qe_computation| How to run QE types of calculations with CP2K and SIRIUS]] 
 +  ​* [[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.1543940241.txt.gz · Last modified: 2018/12/04 16:17 by