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--- exercises_2015_ethz_mmm_geometry_optimization [2015/02/06 13:53] – sclelia
+++ exercises:2015_ethz_mmm:geometry_optimization [2015/02/13 13:01] – [Geometry Optimization] oschuett
@@ Line 82: / Line 82: @@
 === 6. Step ===
-Run the input for different satrting distances, and check whether the simulation always find the minimal energy configuration. To run multiple simulations, you might have a look at [[single_point_calculation|Computation of the Lennard Jones curve for two Ar atoms]], Part II.
+Run the input for different starting distances, and check whether the simulation always find the minimal energy configuration.
+===== Questions =====
+  * After running geometry optimization (on one set of parameters, starting from different distances), do you always find the minimum energy distance?
+  * If not, report the distances at which the geometry optimization does not bring the system in the minimum energy configuration.