COHP Analysis Tutorial

Learn how to visualize and interpret COHP (Crystal Orbital Hamilton Population) data for chemical bonding analysis.

Prerequisites

• LOBSTER calculation output files
• COHPCAR.lobster or equivalent data

Step 1: Load COHP Data

Upload COHP data files through the Electronic Analysis pane.

Supported Formats

• LOBSTER: COHPCAR.lobster
• JSON: Pre-processed COHP data

Step 2: Select Bond Pairs

Choose atom pairs to analyze their bonding/antibonding interactions.

Pair Selection

Select specific atom pairs from the structure viewer or from the dropdown list.

Step 3: Interpret the Plot

Bonding vs Antibonding

• Negative COHP (right side): bonding interactions
• Positive COHP (left side): antibonding interactions

Integrated COHP (ICOHP)

The integrated COHP values quantify bond strength. More negative = stronger bonding.

Step 4: Export

Export plots and data for publication or further analysis.

Related

• Band Structure — Electronic structure visualization
• COHP Module — API reference