DOS Analysis Tutorial

Learn how to plot total and projected density of states from DFT calculations.

Prerequisites

• Completed DFT calculation with DOS output
• Files: vasprun.xml, DOSCAR, or HDF5 data

Step 1: Load DOS Data

Upload density of states data through the Electronic Analysis pane.

Supported Formats

• VASP: vasprun.xml, DOSCAR
• HDF5: .h5 files with DOS arrays
• JSON: Pre-processed DOS JSON

Step 2: Configure the Plot

Energy Range

Set the energy window relative to the Fermi level.

Projection Type

Choose between total DOS, atom-projected DOS, or orbital-projected DOS.

Spin Polarization

For spin-polarized calculations, spin-up and spin-down channels are shown separately.

Step 3: Analyze Features

Peak Identification

Hover over peaks to identify contributing orbitals and atoms.

Integration

Select energy ranges to compute integrated DOS and electron counts.

Step 4: Export

Export as SVG, PNG, or JSON data.

Related

• Band Structure — Electronic band structure visualization
• DOS Module — API reference