Messages from the Psi-k trustees and other topics of relevance to the Psi-k community, e.g. community-led software codes or databases…
Due to the large number of posts recently, there is currently a delay of several weeks between posts being submitted and the corresponding emails being distributed to all users. Please bear with us while we try to improve this. In the meantime – and until this notice is removed – it would assist us considerably if you could submit only important and/or urgent posts and thus help to reduce the size of the mail queue. Under no circumstances should you resend posts multiple times when you find the emails are not distributed immediately.
In light of the Russian military offensive in Ukraine, we request that announcements relating to events, jobs and other activities associated with institutions supported by the Russian and Belarusian states are not posted to the Psi-k forum.
[DFT15poll] Annual popularity poll is ... (No replies)
Back to General announcements...
The 2015 edition of the Annual DFT Popularity Poll HAS STARTED.
Your preferences for the poll can be entered at http://www.surveymoz.com/s/132915FEXPY/
Background information is here: http://www.marcelswart.eu/dft-poll!
This year's edition will mark a change with respect to the previous editions:
a THIRD question is now added where participants can indicate
for each functional on the list (both Primera and Segona Divisió 2015),
what is their preference for a total of 11 properties (see also Rule #8, http://www.marcelswart.eu/dft-poll/rules.html):
• 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)
Best regards,
Marcel Swart
Matthias Bickelhaupt
Miquel Duran