Run a MgO wavefunction calculation

In this exercise you will calculate the wavefunction of an MgO crystal using the MgO structure created in the previous exercise.

  1. Select the menu items Calculate -> CRYSTAL -> Analyse Current wavefunction to analyse your SCF wavefunction


  2. Wait until the job status in the Job List is completed rather than running, then select the job and click the Recover Files button to recover data This will automatically open the Display -> Data panel which allows you to display the recovered data.


    You can now delete the job and close the job list panel if you wish.

    3. Index Next