SCF_INITIAL_FINISH_DIIS_TRANSITION¶
SCF error at which to complete the linear interpolation between DIIS steps and steps of the initial SCF accelerator Value taken from Garza and Scuseria, DOI: 10.1063/1.4740249
Type: double
Default: 1.0e-4
SCF error at which to complete the linear interpolation between DIIS steps and steps of the initial SCF accelerator Value taken from Garza and Scuseria, DOI: 10.1063/1.4740249
Type: double
Default: 1.0e-4