Hello, you can relax the cell in the directions of the slab using keyword cell_do_free.
HTH Pascal Le 11 déc. 2015 à 09:33, Jaret Qi <[email protected]> a écrit : > Hello QE users, > I need to add vacuum along the z-direction to study E-field effect using > saw-like potential. In this case do I need to do vc-relax or relax will be > enough? > > Thank you in advance, > Jaret > ASU > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum -- Pascal Boulet - MCF HDR, Resp. L1 MPCI - DEPARTEMENT CHIMIE Aix-Marseille Université - ST JEROME - Avenue Escadrille Normandie Niemen - 13013 Marseille Tél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50 Site : http://allos.up.univ-mrs.fr/pascal - Email : [email protected] Afin de respecter l'environnement, merci de n'imprimer cet email que si nécessaire.
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