edamp variable


NAME

  edamp -damping parameter for wavefunction dynamics

DESCRIPTION

The edamp variable determines the amount of damping included in the dynamics of the wavefunctions. It is used only if wf_dyn is set to MD or BMD, and ignored othermise. A value of 0 is equivalent to no damping. A value of 1 is equivalent to Steepest Descent (wf_dyn=SD). Positive values in [0,1] cause energy to be dissipated in the wavefunctions' dynamics.

RELATED INFORMATION

wf_dyn



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