Gdvh08 pgi 806
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List of Known Problems in ONIOM (gdvh08_pgi_806)
Conical Intersection Optimizations with CAS
Problem resolved in this version
modelmodesonly Keyword
This has been improved over gdvh01_pgi_725 by changes in the NorCor and NorSel subroutines, however, it still only selected 5 out of 6 model modes in methyl formaldehyde test system.
guess=input syntax
This has changed from previous versions so that the lines are entered consecutively not with spaces.
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