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-8
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.
MRCC
INTS_TOLERANCE
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