User Tools

Site Tools



This shows you the differences between two versions of the page.

Link to this comparison view

Both sides previous revision Previous revision
howto [2018/12/04 16:17] [Advanced Topics]
howto [2019/08/09 11:48] (current)
mtaillefumier Added a link to the tutorial explaining conversion from QE to CP2K input
Line 16: Line 16:
   * [[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 ยท Last modified: 2019/08/09 11:48 by mtaillefumier