Calculation Tasks

There are eight basic tasks (types of calculation) that you can choose from.

The currently active Task is shown on the main panel. It is a reminder only, you cannot change it there.

The easiest and recommended way to change the task is to use the matching Preset menu command. Not only will you change the task that way, but also some other parameters that normally need to be set to get reliable results. For example, to calculate reliable frequencies you will need to use a higher integration accuracy.

Alternatively, you may select the task from the task details panel. This panel will have a different title depending on the current task (Task: SinglePoint, Task: GeometryOptimization, etc).