11/8/2023 0 Comments Molden export zmatrix![]() If true, set orbital_grad_threshold 10 times smaller than specified, and energy_threshold 100 times smaller than specified. Specify the step size for numerical differentiation.įlag for whether to use tighter SCF convergence thresholds than those specified in dft or emft. Save vibrational frequencies and normal modes to file in Molden format.
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