Run a MgO properties calculation: Band Structure and Density of States

In this exercise you will perform calculations of properties by exploiting the wavefunction of an MgO crystal obtained in the previous exercise.

A prerequisite for calculating properties is to analyse a wavefunction, otherwise the properties items are grayed out.

Calculate->CRYSTAL->Analyse Current Wavefunction

The Job List panel will open automatically and look something like this;

Select the job and the status line should report "Job has completed" - like this;

Click on Recover Files.

Exercise: Run a CRYSTAL properties calculation of the Band Structure and Density of States of MgO.

Select Calculate -> CRYSTAL -> Properties -> Band + Dos.

The CRYSTAL Band + Dos panel will open, set the Start Band and the End Band equal to 8 and 11, respectively.

Select OK and the properties calculation will start as evident from the Job List panel

Select the last job in the panel. When the "Job has completed", click on Recover Files. The 1D Data Display window will open:

Once select the available 1D data set, click on the button Draw 1D data. The following Band Structure and Density of States plot will open.

Is there any relation between the Density of States and the Band Structure?