To generate all force constants, we will create global matrices of
force (
), displacements (
) and force constants
(
). These are related each other as follows,
 |
(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.
Subsections
togo
2009-02-12