Hello, I strongly recommend using the atomic simulation environment (ASE) to generate surface supercells. Note that Espresso is not an approved calculator for ASE but you can still generate surfaces with ease. I typically generate the supercell, then extract the cartesian coordinates and cell parameters for Espresso. It is written in Python.
You can find it here: https://wiki.fysik.dtu.dk/ase/ Will DeBenedetti Doctoral Candidate Cornell University On Sat, May 20, 2017 at 3:04 AM, Pascal Boulet <pascal.bou...@univ-amu.fr> wrote: > Hello, > > You can try with VESTA: > http://jp-minerals.org/vesta/en/ > > HTH > Pascal > > - > Pascal Boulet *- MCF HDR, Resp. L2 MPCI - DEPARTEMENT CHIMIE* > Aix-Marseille Université - ST JEROME - Avenue Escadrille Normandie Niemen > - 13013 Marseille > Tél: +33(0)4 13 55 18 10 <+33%204%2013%2055%2018%2010> - Fax : +33(0)4 13 > 55 18 50 <+33%204%2013%2055%2018%2050> > Site : http://madirel.univ-amu.fr/pages_web_BOULET_PASCAL/annuaire - > Email : pascal.bou...@univ-amu.fr > > > > > > > Le 19 mai 2017 à 10:11, Winfred Mulwa <mulwawinf...@gmail.com> a écrit : > > Dear all > I am trying to build surfaces using gdis and it shows i am not getting > there. Kindly, is there any one with an idea on how to go about it?? > Kind regards > Dr. Mulwa Winfred. > Computational Material Science, > University of Eldoret, > Kenya. > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > > > > _______________________________________________ > Pw_forum mailing list > Pw_forum@pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum >
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