Thank you very much 2017-06-11 8:43 GMT+02:00 <t...@theochem.tuwien.ac.at>:
> LDA+U, onsite hybrid, and full hybrid are all supposed to be > better than normal LDA/GGA for correlated systems. > It would not really make sense to mix them together. > > On Sunday 2017-06-11 04:33, karima Physique wrote: > > Date: Sun, 11 Jun 2017 04:33:38 >> From: karima Physique <physique.kar...@gmail.com> >> Reply-To: A Mailing list for WIEN2k users <w...@zeus.theochem.tuwien.ac. >> at> >> To: A Mailing list for WIEN2k users <wien@zeus.theochem.tuwien.ac.at> >> Subject: [Wien] Hybrid funtional >> >> Dear wien2k users; >> >> Are the full hybrid funtional sufficient for the treatment of highly >> correlated systems (use of full hybrid functional without the need to add >> the hubbard >> term). >> >> >> _______________________________________________ > Wien mailing list > Wien@zeus.theochem.tuwien.ac.at > http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien > SEARCH the MAILING-LIST at: http://www.mail-archive.com/wi > e...@zeus.theochem.tuwien.ac.at/index.html >
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