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

[Giuseppe Mattioli]

Dear José
First, have a better look...

http://qe-forge.org/projects/pslibrary/
http://www.quantum-espresso.org/pseudo.php

HTH

Giuseppe


Giuseppe Mattioli
Quoting José 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
>
>
>
> José Fernandes
> Departamento de Quimica
> Universidade de Aveiro
> 3810-193 Aveiro
> Portugal
> Tel: +351234370720
> Fax: +351234370084
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