ADF-GUI overview tutorials
Tutorial 1: Geometry optimization of ethanolStep 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: 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 3: 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
