Release 18.1 contains several new features and improvements. Most notably the code has been MPI-parallelised, enabling you to now also model large systems efficiently with DFTB+ on massively parallel systems and compute clusters. We hope you will continue to find DFTB+ useful for your scientific research. As always we are looking forward to your feedback, suggestions and contributions.
|Place of Publication||San Francisco, CA.|
|Media of output||Online|
|Publication status||Published - 1 Mar 2018|
- atomistic simulations