[DFTB-Plus-User] Invalid dispersion model name error dftb input file

Arun Sharma anonymousarun at gmail.com
Thu Jun 1 20:28:47 CEST 2023


Hello,
I am trying to run an input file that was valid for v. 19.1. The HPC that I
have access to only supports v19.1, so I am stuck with the older version.

The input file provided here fails with the message Invalid dispersion
model. The original file used dispersionD3, however, I removed that due to
the library dependencies and added the SimpleDftD3 dispersion as
recommended in the manual. However, the error persists. Could someone
please take a look at this input file and recommend how to fix this?

Thank you so much,
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