R_CONVERGENCE¶
Convergence criterion for CI residual vector in the Davidson algorithm (RMS error). The default is 1e-4 for energies and 1e-7 for gradients.
Type: conv double
Default: 1e-4
Convergence criterion for CI residual vector in the Davidson algorithm (RMS error). The default is 1e-4 for energies and 1e-7 for gradients.
Type: conv double
Default: 1e-4