TABLE OF CONTENTS

::pwtk::oscdft

NAME

::pwtk::oscdft

DESCRIPTION

Namespace for handling the OSCDFT calculations and OSCDFT's oscdft.in input.

OSCDFT calculations are turned on by calling: 

       oscdft on

This command adds the -oscdft flag to POSTFIX, hence pw.x is then executed by ::pwtk::runPW as: 

       pw.x -oscdft ...

Note that when OSCDFT is turned on, the call to ::pwtk::runXX also makes a backup copy of the oscdft.in file. For example, the following call: 

       runPW example

will make a backup copy of oscdft.in to oscdft.example.in

To turn off OSCDFT, use: 

       oscdft off