Index of /espresso_v6.1/i386_linux26/qe-6.1/Examples/CPV/example05
Name Last modified Size Description
Parent Directory 03-Mar-2017 02:09 -
reference/ 03-Mar-2017 01:46 -
run_example 03-Mar-2017 01:46 4k
run_xml_example 03-Mar-2017 01:46 9k
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.