[Pw_forum] different lattice representation

[Paolo Giannozzi]

On Dec 12, 2006, at 18:21 , Jess Kondor wrote:
>
> from
>     ibrav=  0, celldm(1)=8.19
>   CELL_PARAMETERS
>   0.50 0.50 1.00
>   0.50 1.00 0.50
>  1.00 0.50 0.50
> ATOMIC_POSITIONS {crystal}
>
> to
>    ibrav=  0, celldm(1)=1.00 ,
>  CELL_PARAMETERS
>   4.95 4.95 8.19
>   4.95 8.19 4.95
>   8.19 4.95 4.95

8.19 * 0.5 = ?
---
Paolo Giannozzi, Democritos and University of Udine, Italy