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Calculations summary

Use the Calculations summary window to see main information about the calculation.

To show the Calculations summary window click the menu File --> Calculations summary.
At the top of the window select one of the electronic calculations from the combobox.
See characteristics of scf/dft-calculation: the name of the original file (output file produced by quantum-chemical programs), total number of molecular orbitals, number of occupied alpha and beta molecule orbitals, number of highest occupied molecular orbital (HOMO), number of lowest unoccupied molecular orbital (LUMO), number of atoms in the molecule, the largest MO-LCAO coefficient and scf-energy.