[CP2K-user] [CP2K:10795] NMR calculations with hybrid functionals

hut... at chem.uzh.ch hut... at chem.uzh.ch
Thu Oct 4 07:08:45 UTC 2018


this is still the case.

best regards

Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland

-----cp... at googlegroups.com wrote: -----
To: "cp2k" <cp... at googlegroups.com>
From: "Kristjan Eimre" 
Sent by: cp... at googlegroups.com
Date: 10/03/2018 12:16PM
Subject: [CP2K:10795] NMR calculations with hybrid functionals

Dear CP2K community,

I found a post by Marcella in 2015, saying that "NMR calculations with hybrid functionals are not possible with the current implementation" (https://groups.google.com/d/msg/cp2k/OuTdfRw9Aek/hZVXJBveF8UJ)

Is this still the case?

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