quantum-espresso

History

giannozz b7ce3b7f77 Examples updated - please verify if everything is good git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@3520 c92efa57-630b-4861-b058-cf58834340f0		2006-11-08 09:12:57 +00:00
..
reference	Examples updated - please verify if everything is good	2006-11-08 09:12:57 +00:00
README	New example: CP with Wannier functions (contributed by Manu Sharma)	2004-07-20 13:59:08 +00:00
run_example	Example of CP dynamics with wannier functions updated.	2005-08-24 14:32:15 +00:00

README

This example shows how to use cp.x to calculate Wannier functions and
to perform dynamics with an external electric field.
(contributed by Manu Sharma)

The first calculation runs a cp with Wannier functions and generates
from scratch the Wannier orbitals for a water molecule.

The second calculation then applies an electric field in the
z-direction to this water molecule. The molecule should oscillate
about the applied electric field.