Hello Giuseppe Please considere that in http://www.quantum-espresso.org/pseudo.php
the only pseudopotentials available for Cl are Cl.blyp-mt.UPF Cl.pw91-mt.UPF Cl.pz-bhs.UPF Cl.pbe-n-van.UPF From these pseudopotentials I could find similar for C and O: C.blyp.mt.UPF and O.blyp.mt.UPF but no one in common for hydrogen. Jos? Fernandes Departamento de Quimica Universidade de Aveiro 3810-193 Aveiro Portugal Tel: +351234370720 Fax: +351234370084
