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Displacement
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
main/phonons_fd.F90 : 127
call parse_variable ( sys % namespace , 'Displacement' , CNST ( 0.01 ), vib % disp , units_inp % length )