Dear Manjusha,
Based from what I see (the lattice constants, the symmetry group,
distance between the atoms) I would say that the structure corresponds to
the structure in the paper. I do not, however, have the
experimental/earlier calculated coordinates of the atoms, so I cannot be
fully sure about the atomic coordinates.
Greetings,
apsi
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
Ari Paavo Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
Institut f?r Chemie der Universit?t Z?rich, CH-8057 Z?rich
Tel: +41 44 63 54 497 / Mobile: +41 79 71 90 935
On Fri, 7 Mar 2014, manchugh at iitk.ac.in wrote:
>
> Dear apsi
>
> Thank you very much for your help. I am attaching .jpg file of Alpha-Ga
> structure and also the article which I am following for this structure.
> Yes, the number of iterations are large than required. Thanks for pointing
> this out.
>
> Thank you
> Manjusha
>
>
> --
> Manjusha
> Research Scholar
> C/O Dr. Madhav Ranganathan
> Department of Chemistry
> Indian Institute of Technology,Kanpur
> U.P., India 208016
> Lab-SL302
> ph:+91-512-259 6539
>
