View source for Gdvh01 pgi 725

==List of Known Problems in ONIOM (gdvh01_pgi_725)==

===Conical Intersection Optimizations with CAS===
Forces are not calculated unless the low level method is also CAS. Caused by missing links in overlay 7. Solution is to convert route to non-standard route with testrt and add these links maually. See [https://wiki.ch.ic.ac.uk/wiki/index.php?title=First_steps_with_ONIOM_:_excited_state_of_Bicyclo%2810,2,2%29Hexadeca-1%2815%29,12%2816%2913-triene tutorial] for further information.

==='''modelmodesonly''' Keyword===
This only selects 3 out of 6 model modes in methyl formaldehyde test system. Determines fraction of atom motion in model system compared to whole system and if this is greater than 50% for a two layer calculation (33% for a 3 layer calculation) then identifies mode as belonging to '''model''' but this does not account for translations of atoms in model.

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