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--- exercises:2015_ethz_mmm:geometry_optimization [2015/02/12 13:27] – oschuett
+++ 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.
+Run the input for different starting distances, and check whether the simulation always find the minimal energy configuration.
 ===== Questions =====
-  * Sketch the reaction profile for the two paths presented, reporting shape and activation energy.
+  * After running geometry optimization (on one set of parameters, starting from different distances), do you always find the minimum energy distance?
-  * What are the major differences between the profiles? How do you think the result will change by adopting different number of replicas?
+  * If not, report the distances at which the geometry optimization does not bring the system in the minimum energy configuration.