[Pw_forum] about PW calculation of molecules

[patriot pershing]

dear please
i have using espresso code to calculate the electronic structure and
properties of COHmolecule and to do this work i have choose the free
lattice with alat of 100 au (bohr) and i have positionned the atoms in
the center of lattice and when i have run the pw calculations this
don't work.
in the same topics iw ould ask if it is possible with espresso to
determinate the binding energy between different molecules in ternairy
 molecules (3 atoms per molecule)
best regards