[Pw_forum] pseudopotentials for C, H, O and Cl

José Alberto Pires Fernandes jafernandes at ua.pt
Mon Feb 6 15:38:15 CET 2012


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

José Fernandes
Departamento de Quimica
Universidade de Aveiro
3810-193 Aveiro
Tel: +351234370720
Fax: +351234370084

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