DLV CRYSTAL Tutorial - Charge Density Volumes

  1. Use the Calculate -> CRYSTAL -> Properties -> 3D Charge Density/Potential menu option to open the panel


  2. Choose the details of the calculation you want to run (CRYSTAL uses the number of points to subdivide the lattice a axis and the number of points for the other axes is calculated assuming a similar spatial resolution)


  3. Click on the Run button to start the calculation.
  4. When you recover the job you should see a 3D item listed in the data panel that is opened.


To view the results see Displaying 3D data.