[Pw_forum] beta tin structure

[Mike Mehl]

Again, look up the difference between

1) the tetragonal lattice

and

2) the body-centered tetragonal lattice

Until you understand that, you will not understand your problem.

On 01/04/2012 10:28 AM, bhabya sahoo wrote:
> i give the input as bct containing
> two atoms having position
> 0, 0, 0
> .5 ,0 ,.25
> but the structure doesnot looks like beta tin structure
> in pwscf why? is it coorect or not?
>


-- 
Michael J. Mehl
Head, Center for Computational Materials Science
Naval Research Laboratory Code 6390
Washington DC