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Saving a calculation

Before you proceed to another calculation, you should save the results of the SCF-cycle with the save_lapw command, which is also described in detail in section 5.2.1. This can also be done from the graphical user interface by choosing the ``Run Programs Save Calculation'' menu.

Save the result to this example under the name ``tic_scf''.

You can now improve your calculation and check the convergence of the most important parameters:

Then just execute another run_lapw.




2000-04-11