quantum-espresso/KCW/examples/example02

This example shows how to use the KCW code to compute the electronic structure
of H2O molecule using canonical KS orbitals as variational ones. 
This requires few steps:

1) run a standard scf calculation at PBE level. 
   input=h2o.scf.in, output=h2o.scf.out

3) prepare the KCW calculation 
   input=h2o.kcw-wann2kcw.in, output=h2o.kcw-wann2kcw.out

4) calculate the screening coefficients 
   input=h2o.kcw-screen.in, output=h2o.kcw-screen.out

5) calculate and diagonalize the KI Hamiltonian 
   input=h2o.kcw-ham.in, output=h2o.kcw-ham.out