Using PWscf

Input files for the PWscf codes may be either written by hand (the good old way), or produced via the ``PWgui'' graphical interface by Anton Kokalj, included in the Quantum-ESPRESSO distribution. See PWgui-x.y.z/INSTALL (where x.y.z is the version number) for more info on PWgui, or GUI/README if you are using CVS sources.

You may take the examples distributed with Quantum-ESPRESSO as templates for writing your own input files: see section , ``Run examples''. In the following, whenever we mention ``Example N'', we refer to those. Input files are those in the results directories, with names ending in .in (they'll appear after you've run the examples).

Note about exchange-correlation: the type of exchange-correlation used in the calculation is read from PP files. All PP's must have been generated using the same exchange-correlation.