mirror of https://gitlab.com/QEF/q-e.git
![]() 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. |
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run_example |
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).