☰
Navigation :

Displacement

A - B - C - D - E - F - G - H - I - K - L - M - N - O - P - Q - R - S - T - U - V - W - X

Displacement

Section Linear Response::Vibrational Modes
Type float
Default 0.01 a.u.

When calculating phonon properties by finite differences (CalculationMode = vib_modes, ResponseMethod = finite_differences), Displacement controls how much the atoms are to be moved in order to calculate the dynamical matrix.

Source information

Featured in chapters of the manual: