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Fast RI-MP2 calculations with the ricc2 program:

The ricc2 program includes as a subset also the functionalities of the RI-MP2 program. Because of refined batching algorithms, screening and symmetry treatment the ricc2 program is usually somewhat faster than the rimp2 program. This is in particular the cases in the following situations: All what is needed for a RI-MP2 gradient calculation with the ricc2 program is:
$ricc2
  geoopt model=mp2
If you want only the RI-MP2 energy for a single point use as input:
$ricc2
  mp2
To activate in MP2 energy calculations evaluation of the $ D_1$ diagnostic use:
$ricc2
  mp2 d1diag



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