Dear Jos? First, have a better look... http://qe-forge.org/projects/pslibrary/ http://www.quantum-espresso.org/pseudo.php
HTH Giuseppe Giuseppe Mattioli Quoting Jos? Alberto Pires Fernandes <jafernandes at ua.pt>: > Hello > > I need to perform a structure optimization for a molecule > containing C,H, O and Cl. > I could not find a pseudopotential common to this four > elements. How can I proceed? > > Best regards > > > > Jos? Fernandes > Departamento de Quimica > Universidade de Aveiro > 3810-193 Aveiro > Portugal > Tel: +351234370720 > Fax: +351234370084 > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum >
