Building up a square lattice: Difference between revisions

From SklogWiki
Jump to navigation Jump to search
m (New page: * Consider: # a cubic simulation box whose sides are of length <math>\left. L \right. </math> # a number of lattice positions, <math> \left. M \right. </math> given by <math> \left. M = m...)
 
mNo edit summary
 
(One intermediate revision by one other user not shown)
Line 1: Line 1:
* Consider:
* Consider:
# a cubic simulation box whose sides are of length <math>\left. L  \right. </math>
# a square simulation box whose sides are of length <math>\left. L  \right. </math>
# a number of lattice positions, <math> \left. M \right. </math> given by <math> \left. M = m^{3}    \right. </math> ; with <math> m </math> being a positive integer
# a number of lattice positions, <math> \left. M \right. </math> given by <math> \left. M = m^{2}    \right. </math> ; with <math> m </math> being a positive integer


* The <math> \left. M \right. </math> positions are those given by:  
* The <math> \left. M \right. </math> positions are those given by:  
Line 8: Line 8:
x = i \times (\delta l) &; i=0,1,\cdots, m-1 \\
x = i \times (\delta l) &; i=0,1,\cdots, m-1 \\
y = j \times (\delta l) &; j=0,1,\cdots, m-1 \\
y = j \times (\delta l) &; j=0,1,\cdots, m-1 \\
z = k \times (\delta l) &; k=0,1,\cdots, m-1
\end{array}
\end{array}


Line 21: Line 20:
</math>
</math>


== Atomic position(s) on a cubic cell ==
== Atomic position(s) on a square cell ==


* Number of atoms per cell: 1  
* Number of atoms per cell: 1  
* Coordinates:
* Coordinates:
Atom 1: <math> \left( x_1, y_1, z_1 \right) = \left( 0, 0, 0 \right) </math>
Atom 1: <math> \left( x_1, y_1\right) = \left( 0, 0 \right) </math>
[[category: computer simulation techniques]]

Latest revision as of 10:59, 13 February 2008

  • Consider:
  1. a square simulation box whose sides are of length
  2. a number of lattice positions, given by  ; with being a positive integer
  • The positions are those given by:

where

Atomic position(s) on a square cell[edit]

  • Number of atoms per cell: 1
  • Coordinates:

Atom 1: