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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:
- increase RKMAX and GMAX in case.in1 and
case.in2
- increase the k-mesh with x kgen
- choose a different exchange-correlation potential in case.in0
Then just execute another run_lapw.
2000-04-11