|
|
Line 37: |
Line 37: |
|
| |
|
| *<math> \alpha = \beta = \gamma = 90^0 </math> | | *<math> \alpha = \beta = \gamma = 90^0 </math> |
| | [[category: computer simulation techniques]] |
Revision as of 12:00, 13 February 2008
- a cubic simulation box whose sides are of length
- a number of lattice positions, given by , with being a positive integer
- The positions are those given by:
where the indices of a given valid site must fulfill:
- must be either all odd or all even.
and
Atomic position(s) on a cubic cell
- Number of atoms per cell: 2
- Coordinates:
Atom 1:
Atom 2:
Cell dimensions: