[Pw_forum] Input file for Bulk Gallium

[Ari P Seitsonen]

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 für Chemie der Universität Zürich, CH-8057 Zürich
   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
>