- Description
- Availability
- Examples
Availability
Energies, “analytic” gradients, and numerical frequencies. Restricted open shell (RO) wavefunctions are limited to optimizations using the Fletcher-Powell and pseudo-Newton-Raphson methods (FP and EnOnly, respectively).
Examples
The MNDO energy appears in the output file as follows:
SCF Done: E(UMNDO) = -8.08016620373 A.U. after 11 cycles
The energy is as defined by the MNDO model.
- Description
- Availability
- Examples
Energies, “analytic” gradients, and numerical frequencies. Restricted open shell (RO) wavefunctions are limited to optimizations using the Fletcher-Powell and pseudo-Newton-Raphson methods (FP and EnOnly, respectively).
The MNDO energy appears in the output file as follows:
SCF Done: E(UMNDO) = -8.08016620373 A.U. after 11 cycles
The energy is as defined by the MNDO model.
Last updated on: 05 January 2017. [G16 Rev. C.01]
