howto
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howto [2019/08/09 11:48] mtaillefumier Added a link to the tutorial explaining conversion from QE to CP2K input |
howto [2019/10/15 16:10] (current) vrybkin [Basic Topics] |
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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 ยท Last modified: 2019/10/15 16:10 by vrybkin
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