Convergence criterion for energy. See Table Post-SCF Convergence for default convergence criteria for different calculation types. This becomes
tol
(option #16) in fort.56.
- Type: conv double
- Default: 1e-6
Convergence criterion for energy. See Table Post-SCF Convergence for default convergence criteria for different calculation types. This becomes
tol
(option #16) in fort.56.
- Type: conv double
- Default: 1e-6