SIMINT¶
| Input File | Description |
|---|---|
| simint/scf5 | Test of all different algorithms and reference types for SCF, on singlet and triplet O2, using the cc-pVTZ basis set and using SIMINT integrals. |
| simint/mp2-module | OMP2 cc-pVDZ energy for the H2O molecule and using SIMINT integrals. |