Test cases for dttd4_vasp

dftd4 / dftd4_vasp

dftd4 interface for the VASP quantum chemistry code.

MIT License

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Test cases for dttd4_vasp #5

Open jjlow opened 2 years ago

jjlow commented 2 years ago

I have succeeded in building vasp 6.2.1 with the dftd4 library. It would be nice to have a few test dftd4 calculations to be sure everything is being done correctly in my build. Could the dftd4 developers provide a few examples of dftd4_vasp calculations?

Thanks,

John Low Argonne National Laboratory.

awvwgk commented 2 years ago

This repository is not maintained anymore by its original author and out-dated with respect to the Vasp integration of dftd4.

Cross-posted at https://github.com/dftd4/dftd4/issues/130