Index of /espresso_v6.1/i386_linux26/qe-6.1/Examples/CPV/example06
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 10k
This is a second example of how to use cp.x to calculate Wannier functions
(contributed by people at IRRMA Lausanne)
The first calculation finds the electronic ground state, while the
subsequent one calculates Wannier orbitals for a water molecule,
using Jacobi Rotation as localization algorithm (wfsd=3).