Overall considerations regarding the talks from Symposium K (Computer Modelling …):
- Not many “pure” DFT works, mainly there were discussed Monte Carlo, Molecular Dynamics and DFT-“something” works.
- Many works were Van der Waals interaction plays important role (DFT-vdW).
- In the few DFT-U works presented, the U-value convergence was not discussed or was fitted for one structure and “reused” in several different structures.
- Quantum Espresso widely used!
- Interesting talk about DFT used in “curved” space.
Regarding my talk:
- I was unsuccessfully to gain many “followers” mainly because none of the attendees knew AIMPRO and were septic regarding the results.
- Few questions/comments were made:
- They were intriguing about how much the wavefunction was delocalized to the neighboring NC;
- They were septic about the practicability of making experimentally films with the properties of these NC-SL.