[Wien] Error in defining the structure

[Subhra Kulshrestha]

Respected Sir,

I am trying to compute srtuctural properties of SmTe.  For this I have defined the structure using the experimental lattice constant (a=6.6008 Ang) with RMT value 2.96 and 2.8 for Sm and Te.  When I viewed the structure using Xcrysden, all the atoms of Sm and Te are at the correct postion but it doesn't show any bonding.  At the value smaller than the expt. lattice constant (a=6 Ang), I viewed the structure then it show bonding.

So, May I request you to kindly help me to resolve the problem.

Regards and Thanks,
Subhra Kulshrestha
Project Fellow(UGC), Condensed Matter Theory Group
School of Studies in Physics, Jiwaji University
Gwalior 474011  (M.P.) INDIA



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