Using the Field Probe to calculate electron density field differences

Author: Stephen Todd

Description

This script uses a Field Probe to iteratively move through three different fields getting the values at each grid point and then changes the value in a fourth field. The example structures show how it can be applied to calculating the electron density difference from DMol³ electron density calculations but this could equally be applied to any field data.

A script has also been added which automates the charge density difference calculation, including the DMol³ calculation.

Modules: Materials Visualizer

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