Re: [CP2K:8093] CP2K Δ-value in the recent international DFT Benchmark ?

hut... at chem.uzh.ch hut... at chem.uzh.ch
Wed Aug 24 16:35:53 CEST 2016


Hi

The Delta test requires a k-point code and CP2K was at that time not
(and in fact still isn't fully) able to perform such calculations.
We will in the future (hopefully) be able to provide this type of
tests.

regards

Juerg
--------------------------------------------------------------
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: Simiam Ghan 
Sent by: cp... at googlegroups.com
Date: 08/24/2016 12:23PM
Subject: [CP2K:8093] CP2K Δ-value in the recent international DFT Benchmark ?

Hello all,Out of interest are there any plans for CP2K to participate in this recent benchmark of DFT codes?  I was just suprised not to see it on the list. https://molmod.ugent.be/deltacodesdft
Greetings,Simiam Ghan



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