You should post - your input structure - the exact input you gave after typing "x supercell" - the output structure
(1*1*1 means you're just replicating your original structure ... possibly converting the lattice type -- right?) Cheers, Kevin On Tue, Sep 23, 2014 at 1:39 PM, kalsoom Khan <kkkhan.qu...@yahoo.com> wrote: > Dear All > I need your help regarding the super cell, I have the structure with two > atoms, one atom have 2 positions and the other atoms have five positions. I > make the super cell with 1*1*1, and the first atom got four positions while > the 2nd atom got 10 positions but i need three positions for the first atom > and 8 positions for the second atom. So please help me what should I do. > with regrads > Kalsoom > > > _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: > http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html > >
_______________________________________________ Wien mailing list Wien@zeus.theochem.tuwien.ac.at http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien SEARCH the MAILING-LIST at: http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/index.html
