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2. A quick tour
2.2. An illustrative example: Part 1
This section will guide you through the process of performing a DFT energy calculation and a ground state
geometry optimization of a molecule, for which input coordinates exist, e.g. benzene.
The button
in the tool bar or the menu 'Import Coordinate File' in the pull-down menu 'File' will open a file browser.
Select the coordinate file and load the molecular structure of benzene in TmoleX (first change to the installation
directory COSMOlogic10/TmoleX/prefabs/aromatics).
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