[Pw_forum] Oxygen adsorption on graphene

[Masoud Nahali]

Dear Mahdi

You need to define a vacuum (about 10 Angstrom) in the z-direction where the
oxygen adsorbs. It means that you should select a large value for C (the
lattice parameter in z-direction) in your slab model.

Would you please modify the typo (*مهد&#1740) *which was
appeared as your name* *in the forum page. Many Thanks
**
**
 Best Wishes
*


Masoud Nahali

PhD Student of Physical Chemistry
Sharif University of Technology
*



Mahdi Wrote :
>
> Dear all,
> how to define a unit cell for oxygen adsorbed on graphene in input file?
> Mahdi, Faqiehnasiri, MSC, Guilan, Iran
>
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