quantum-espresso/CPV/examples/example06
Paolo Giannozzi 6148f5e5c5 Obscure line present in all examples replaced with a much simpler one.
See https://stackoverflow.com/questions/50148175/what-does-cd-echo-0-sed-s-1-do-in-bash-script

Note: some trailing blanks have been removed as well by the script I used.
Use "git diff -b" to see only the true changes.
2022-09-03 11:53:33 +02:00
..
reference CPV changed in dir structure. Working src, examples and tests 2011-08-25 12:46:21 +00:00
README CPV changed in dir structure. Working src, examples and tests 2011-08-25 12:46:21 +00:00
run_example Obscure line present in all examples replaced with a much simpler one. 2022-09-03 11:53:33 +02:00

README

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).