Dear Ramesh! Visualize the structure with Xcrysden. You may be figure out the problem by yourself.
On Sat, Sep 17, 2011 at 5:27 PM, ramesh kumar <raamesh123 at rediffmail.com>wrote: > Dear All > > I am trying to make a tetragonal supercell with 32 atoms but got this error > > > from check_atoms : error # 1 > atoms # 1 and # 2 overlap! > > I tried searching forum got the answer like because of the equivalent atom > positions it shows the > error. So i tried to use p1 space group (triclinic cell) but i am unable to > get rid of the error. > Anyboday faced this problem earlier please help me in this regard... > > Thankyou > > With regards > > K. Ramesh Kumar > Research Scholar > Department of Physics > IIT-Madras > Chennai-600 036 > > <http://sigads.rediff.com/RealMedia/ads/click_nx.ads/www.rediffmail.com/signatureline.htm > at Middle?> > Treat yourself at a restaurant, spa, resort and much more with *Rediff > Deal ho > jaye!<http://track.rediff.com/click?url=___http://dealhojaye.rediff.com?sc_cid=mailsignature___&cmp=signature&lnk=rediffmailsignature&newservice=deals> > * > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- Regards, MOHNISH, ----------------------------------------------------------------- Mohnish Pandey BTech-Mtech, IIT Kanpur Senior Project Associate, Department of Chemical Engineering, IIT KANPUR, UP, INDIA ----------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110917/dd93d07e/attachment.htm