I want to use Gaussian 09 d1 to do DFTB calculations with Elstner parameter files and I want to apply dispersion corrections, in my case the BJ corrections as described by Grimme. (EmpiricalDispersion=GD3BJ)

The manual explains how to set environment variables to give the respective parameters for S8 and the ABJ1 and ABJ2, like

export GAUSS_DFTD3_S8=2375000

It works but is tedious in a queueing environment since it means that you have to modify your submit script to set these parameters at runtime if keywords are set.

The big issue is that it becomes totally unfeasible for link jobs.

Has anybody added the parameters to the source code? It is easy to find where to set them but I am not sure about the syntax and if that would be sufficient.

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