Join the next in our series of demonstrations, tips & tricks by
Friday 18 September Pier discusses valuable tips & tricks on running 2D periodic DFT calculations with BAND. He will discuss the relevant accuracy settings, how to find the optimal ones, and how to reduce calculation times.
Pier will introduce our hybrid engine (to be released later in 2020)
with which you can run periodic multi-layer calculations (QM/MM and
QM/QM’). He will apply it with a DFT-in-DFTB calculation on a 2D metal-organic framework.
For a live Q&A Join the premiere at 4pm Amsterdam time on Friday 18 September:
We hope to see you all there! Do let us know your suggestions for future topics.
You have already subscribed. Thank you! If you don't receive our newsletters, send us an email.Key conceptsBAND DFTB framework multi-layer QM/MM Relativistic DFT