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DFTpoll2016 has started (No replies)

marcelswart
8 years ago
marcelswart 8 years ago

The 2016 edition of the Annual DFT Popularity Poll HAS STARTED.
Your preferences for the poll can be entered at http://www.marcelswart.eu/dft-poll
or directly at http://www.surveymoz.com/s/dft-poll2016.

This year's edition continues with the new format of having three questions.
With the third question participants can indicate for each functional on the list
(both Primera and Segona Divisió 2016),
what is their preference for a total of 11 properties (see also Rule #8):
• Reaction barriers
• Vibrational frequencies, Normal modes, Thermodynamics
• Dispersion energy, π-π stacking
• Hydrogen bonds
• Excitation energies and chiroptical properties
• Main group elements
• Transition metals
• Relativistic elements
• NMR shieldings, NMR couplings
• Geometries
• Spin-state splittings
For each of these properties one can choose between the following five preferences:
++ Love it ; + Like it ; 0 Neutral ; - Dislike it ; -- Hate it
(only for the third question)

New in this year’s edition is that (if wanted) one can save the (partial) answers,
and then continue later. This has been added to enable one to respond to the third
question in all time that is needed.

As usual the poll ends on October 1, after which a news item will be published
with the 2016 results, and the full results will be made available through
http://www.marcelswart.eu/dft-poll (just as was done for the 2015 edition).

Best regards,

Marcel Swart
Matthias Bickelhaupt
Miquel Duran




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