Dear Vijaya,
On Tue, May 28, 2013 at 7:51 AM, vijaya subramanian <vijaya65 at hotmail.com>wrote: > Hi > For a slab calculation I use ibrav=0 and set up my unit cell > such that the last row and column of atoms is omitted. > When using xcrysden I see no overlapping atoms and > am able to get extended cells with the correct number of atoms > etc. I just want to make sure that what I am doing is correct. > how we can say weather u r doing correct or not? > Thanks > Vijaya > UNM > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://pwscf.org/mailman/listinfo/pw_forum > -- With Best Regards, ------------------------------------ Dr. Sanjeev Kumar Gupta Fulbright Post-Doctoral Scholar Dept. of Physics Michigan Technological University 1400 Townsend Drive, Houghton MI 49931, USA ------------------------------------ -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20130529/278d57b5/attachment.html
