I want to calculate cohesive energy of CaO.
If you want the cohesive energy, you should compare to the most stable pure elemental form: metallic Ca (I think..) and molecular Oxygen.
kind regards -- Lorenzo Paulatto - Paris _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
