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Prerequisites

Calculations with mpgrad, rimp2 or ricc2 require Calculations with rimp2 and ricc2 moreover require This is not needed for mpgrad , but here one needs For explicitly-correlated MP2-F12 calculations one needs-depending the details of the applied approximations-additionally a so-called complementary auxiliary basis set (CABS, defined in $cabs) and a RI-SCF auxiliary basis set defined in $jkbas.


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Next: Calculations with rimp2 and Up: How to Prepare and Previous: How to Prepare and   Contents   Index
TURBOMOLE M