Step 4: Running the calculation

It is a good idea to give your calculation a description.

Go back to the "Main options" panel
Enter something appropriate in the "Title" field
Save the result with the menu "File>Save", and name it "NaCl"
Choose "File>run".

First, adfjobs will start and asks you

Accept "Yes", and a window will appear showing the progress of the BAND calculation (the 'logfile'). After a few minutes the calculation has finished, and it looks like:

Wait for the text 'Job ... has finished' in the logfile (... will be the name of your run script)

The calculation has produced two files: "NaCl.out", which contains the result of the calculation in text format, the second is"NaCl.runkf" which is a binary result file.

 

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