TURBOMOLE Users Forum
Forum General => Miscellaneous => Topic started by: ok on May 21, 2009, 01:15:30 PM
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I am new to Turbomole and trying to make a DHDF calculation.
Firstly I am doing a Dscf run with b2-plyp including $vdw and then an Ricc2 (mp2) calculation.
So the DHDF energy that I am looking for is the one that i got from Dscf E + 0.27 pt2 from ricc2 + dispersion from Dscf calc ($vdw)
Is that correct?
thanks in advance