Differences

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

--- howto [2018/11/01 08:44] – [Advanced Topics] nholmber
+++ howto [2019/08/09 11:48] – Added a link to the tutorial explaining conversion from QE to CP2K input mtaillefumier
@@ Line 16: / Line 16: @@
   * [[howto:static_calculation|How to Calculate Energy and Forces]]
   * [[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:md|How to run Molecular Dynamics]]
@@ Line 21: / Line 22: @@
   * [[howto:gethelp|How to ask a question on Google groups]]
   * [[howto:gemc|How to run GEMC calculations]]
 ===== Advanced Topics =====
   * [[https://brehm-research.de/spectroscopy|How to calculate vibrational spectra from AIMD]] with CP2K and [[http://www.travis-analyzer.de/|TRAVIS]] (Updated 2018).
@@ Line 37: / Line 39: @@
   * [[howto:cdft|How to perform constrained DFT (CDFT) simulations]]
   * [[howto:pao-ml|How to run simulations with PAO-ML]]
+  * [[howto:kg|How to run KG calculations]]
 ===== Applications / Case Studies =====
   * [[ science | Example published work using CP2K ]]