Table of Contents
BAND-GUI TutorialTable of Contents
Tutorials
Tutorial 1: with a grain of salt
Step 1: Start BANDinput
Step 2: Create the unit cell
Select the coordinates tab
Select periodicity
Enter lattice vectors
Step 3: Add the atoms
Step 4: Running the calculation
Step 5: Examine the band structure
Step 6: Visualizing the results
Plotting the orbitals
Plotting the deformation density
Step 7: Check the charges
Tutorial 2: using the builder
example 1: NaCl crystal
example 2: A three layer slab of the Cu(111) surface
