5.2 Plots: Density, Potential, Orbitals

To compute the electrostatic potential, charge density or molecular orbital values in a regular 2-D or 3-D grid, a separate program densf can be used. It requires the TAPE21 result file from the calculation and produces a tape41 files with the required data.

Other programs may process the TAPE41 data.

Cntrs processes computes contours.

Adfplt displays orbitals, densities, potentials on your screen (2D, 3D) and can be used to print the pictures [137].

densf, cntrs and adfplt are auxiliary programs in the adf package. See the utilities document.