LRConvAbsDens

LRConvAbsDens

Section Linear Response::SCF in LR calculations
Type float
Default 1e-5

The tolerance in the absolute variation of the density response, to determine if the SCF for linear response is converged. $\varepsilon = \int {\rm d}^3r \left| \rho^{out}(\bf r) -\rho^{inp}(\bf r) \right|$. A zero value means do not use this criterion.

 call parse_variable(namespace, 'LRConvAbsDens', CNST(1e-5), this%conv_abs_dens)