Matrix representation of linear equation

To generate all force constants, we will create global matrices of force ( $ \mathbf{F}$), displacements ( $ \mathbf{U}$) and force constants ( $ \mathbf{P}$). These are related each other as follows,

$\displaystyle \mathbf{F} = - \mathbf{U} \cdot \mathbf{P}.$ (3.2)

To explain the matrix representation of linear equation, first we will see solving technique of a force constant matrix between a displaced atom and forces on an atom in supercell.


togo 2009-02-12
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