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Plane wave job

Whenever the plane wave code is called for a given structure, it can perform several jobs. For a simple relaxation, all you will need to do is an scf (self-consistent field) loop:
begin pw_jobs
pw_job scf
end pw_jobs
Later, you may want to add extra pw_jobs to do things like compute bandstructures and potential plots, at which time you should read Section 4.0.5.



Jonathan Yates 2001-05-10