Hi, You can use Virtual NanoLab for creating surfaces. They give a free perpetual license for academic researchers. You can find it here- http://quantumwise.com/free-trial/free-vnl Hope it helps.
Jiban Kangsabanik Research Scholar IIT Bombay, India On Sat, May 20, 2017 at 5:42 PM, William DeBenedetti <wj...@cornell.edu> wrote: > 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 >> > > > _______________________________________________ > 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
