Dear colleagues,
We are thankful for the efforts of our collaborators and the SCM team in Amsterdam which have lead to many interesting new features in the 2017 release of the ADF Modeling Suite. Some improvements that could be of interest to this community:
* GUI: fast building and visualization of large and periodic systems, detailed insight band structures and projected DOS, framework builder for MOFs, VCD spectra analysis, Quantum ESPRESSO interface
* New XC functionals: Perdew’s SCAN meta-GGA and Truhlar’s MN15 are now available in ADF and BAND, libxc updated to 3.0
* ReaxFF: Travis trajectory analysis tools, molecule gun and eReaxFF (explicit holes and electrons), speed ups for dense systems
* Much faster periodic DFTB calculations (including dispersion)
* Scripting: python 3.5 framework for PLAMS, FlexMD, ASE and the iPython command shell. Simplified ASE interfaces.
A more complete list of new features in ADF2017: www.scm.com/support/release-notes/
To try out our software, fill in our trial form: www.scm.com/free-trial
We welcome suggestions for future improvements.
With kind regards,
Fedor Goumans, on behalf of the SCM team
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