ADF-GUI overview tutorials

Tutorial 1: Geometry optimization of ethanol
Step 1: Preparations
Step 2: Create your molecule
Step 3: Select calculation options
Step 4: Run your calculation
Step 5: Results of your calculation
Tutorial 2: Building Molecules
Step 1: Start ADFinput
Step 2: Search for ethanol
Step 3: Import XYZ for ethanol
Step 4: Import SMILES string
Step 5: Build ethanol using the structure tool
Step 6: Building a peptide chain using the structures tool
Step 7: Metal complexes and ligands
Step 8: Your own structures library
Step 9: A sphere of Cu atoms, cut out of the crystal
Tutorial 3: Building Crystals and Slabs
The Crystal Structure Database
Crystal builder (from space group information)
Slicer: building slabs
Enlarging the unit cell
Tutorial 4: Excitation energies of ethene
Step 1: Start ADFinput
Step 2: Create your ethene molecule
Step 3: Optimize the geometry
Step 4: Calculate the excitation energies
Step 5: Results of your calculation
Tutorial 5: Vibrational frequencies of ethane
Step 1: Start ADFinput
Step 2: Create your ethane molecule
Step 3: Optimize the geometry
Step 4: Calculate the vibrational frequencies of ethane
Step 5: Results of your calculation

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