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Pre-optimize the geometry

Now use the optimizer that comes with ADFinput to pre-optimize the geometry.

Click on the pre-optimizer button (the rightmost 'gear wheel' button of the menu bar)

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The geometry of the molecule will be pre-optimized very quickly, using a simple (and inaccurate) force field method. Alternative pre-optimization methods such as MOPAC and DFTB can be selected in the preferences. To do this, use the SCM → Preferences menu command, and select 'Pre-Optimizer' in the window that appears.

In the status field below the drawing area you can follow the pre-optimization iteration number and the energy relatively to the starting configuration.

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