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NMR calculations with hybrid functionals
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Kristjan Eimre
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Oct 3, 2018, 6:03:49 AM
10/3/18
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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?
Best,
Kristjan
hut...@chem.uzh.ch
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Oct 4, 2018, 3:08:50 AM
10/4/18
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Hi
this is still the case.
best regards
Juerg
--------------------------------------------------------------
Juerg Hutter Phone :
++41 44 635 4491
Institut für Chemie C FAX :
++41 44 635 6838
Universität Zürich E-mail:
hut...@chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
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From: "Kristjan Eimre"
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Date: 10/03/2018 12:16PM
Subject: [CP2K:10795] NMR calculations with hybrid functionals
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