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. |