I have a few questons about MS 6 capabilities:
1) I would like to know how to build ZnO nanotubes using periodic boundary conditions,
and how to build ZnO sheets?
2) Theoretically DFTB+ allows to determine better koster files for each atomic interaction systems based on results obtained in DFT(LDA or GGA)approximations. Is it possible to inter-convert between the .skf file from/to MStudio to/from DFTB+ (free academic version)?
3)The Castep module has capabilities to calculate optoelectronic properties of crystals under magnetic or electric fields? How to proceed to take this into account?
Vibrational spectra could be calculated under these conditions?
Thanks,
