PhononModesZeroThreshold

PhononModesZeroThreshold

Section System
Type float
Default 1.0e-5

Frequency threshold (in atomic units), below which phonon modes should be considered as zero frequency modes, such as translations or rotations, and be ignored for the generation of initial displacements. This default corresponds to 1e-5 Ha = 0.27 meV = 0.065 THz.

 call parse_variable(namespace, "PhononModesZeroThreshold", frequency_default_threshold, frequency_threshold)