[DFTB-Plus-User] slater koster parameters (skf files)

Bálint Aradi aradi at uni-bremen.de
Mon Apr 1 19:15:36 CEST 2019

Dear Anshu,

we plan to release the parameterisation tools in the autumn release 19.2
this year. As they were used mostly internally so far (or given away to
colaboration partners), their user interface is not as robust as I would
wish and I want to fix that before letting users to make parameters with
it. Especially, they should be robust enough of preventing users from
making trivial mistakes without noticing it.

For sure, Maximes way of using Hotbit to generate a parametrisation is a
possible alternative, so you may give it a try, if you want to start

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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