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AMS2019.3 released: D4 dispersion, fast periodic ... (No replies)

3 months ago
Fedor 3 months ago

Dear Psi-k,

The SCM team is happy to announce our second major release this year.

We highlight a few new capabilities we reckon could be of most interest to the Psi-k community. For a more complete list, please check the Amsterdam Modeling Suite 2019.3 release notes:

  • New functionals for our periodic code BAND: D4 dispersion corrections, ultranonlocal TASK mGGA
  • Much more efficient periodic DFTB branch, including GFN1-xTB
  • Basic interface to VASP: GUI and AMS driver
  • Anisotropic external stresses
  • NEB available through central AMS driver
  • Quick characterization of Transition States

We are very grateful for our collaborators who have contributed to this and previous versions! We look forward to your feedback and suggestions.

With kind regards,

On behalf of the SCM team,

Fedor Goumans

Dr. T. P. M. (Fedor) Goumans
Business Developer
Software for Chemistry & Materials BV
De Boelelaan 1083
1081 HV Amsterdam, The Netherlands
T +31 20 598 7625

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Ab initio (from electronic structure) calculation of complex processes in materials