Contents
Table 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
Step 6: Visualizing the results
Plotting the orbitals
Plotting the deformation density
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