[Pw_forum] add vacuum

[Jaret Qi]

I am using 2Dxy is it the choice for fixing only zz coordinate? 


    On Friday, December 11, 2015 1:46 AM, Pascal Boulet <pascal.boulet at univ-amu.fr> wrote:
 

 Hello,
you can relax the cell in the directions of the slab using keyword cell_do_free.
HTHPascal
Le 11 déc. 2015 à 09:33, Jaret Qi <jaretqi at yahoo.com> 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,JaretASU_______________________________________________
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Pascal Boulet - MCF HDR, Resp. L1 MPCI - DEPARTEMENT CHIMIEAix-Marseille Université - ST JEROME - Avenue Escadrille Normandie Niemen - 13013 MarseilleTél: +33(0)4 13 55 18 10 - Fax : +33(0)4 13 55 18 50Site : http://allos.up.univ-mrs.fr/pascal - Email : pascal.boulet at univ-amu.frAfin de respecter l'environnement, merci de n'imprimer cet email que si nécessaire.


  
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