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
