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COSMO in MP2 Calculations:

The iterative COSMO PTED scheme (see chapter 11) can be used with the mp2cosmo script. Options are explained the help message (mp2cosmo -h). Both MP2 modules RIMP2 and MPGRAD can be utilized. The control file can be prepared by a normal COSMO SCF input followed by a RIMP2 or MPGRAD input.



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