[CP2K-user] [CP2K:14424] CP2K Δ-value in the recent international DFT Benchmark ?

[Thomas Kühne]

Dear Leopold, 

in Fig. 18 of our recent review paper, a mean value of 2.28 meV/atom is reported, which is in line with the 
2.1 meV/atom as obtained using Abinit in conjunction with exactly the same GTH-type dual-space NCPPs. 

Merry christmas, 
Thomas 

> Am 21.12.2020 um 21:23 schrieb Leopold Talirz <leopol... at gmail.com>:
> 
> Hi,
> 
> 4 years later, is there an update on the status of the delta test for CP2K?
> Is there still a technical problem blocking the reporting of the delta value for CP2K?
> 
> I regularly get questions about the accuracy of cp2k for solid-state calculations and while the devil is often in the details, having cp2k be represented on this list would seem like a step in the right direction.
> 
> Best,
> Leopold
> 
> On Wednesday, 24 August 2016 at 16:35:57 UTC+2 jgh wrote:
> 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 <tel:+41%2044%20635%2044%2091> 
> Institut für Chemie C                FAX   : ++41 44 635 6838 <tel:+41%2044%20635%2068%2038> 
> Universität Zürich                   E-mail: h... at chem.uzh.ch <applewebdata://6ED9F2C4-005D-4CD2-A42E-5A3C5EF29A8E> 
> Winterthurerstrasse 190 
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> --------------------------------------------------------------- 
> 
> -----c... at googlegroups.com <applewebdata://6ED9F2C4-005D-4CD2-A42E-5A3C5EF29A8E> wrote: -----To: cp2k <c... at googlegroups.com <applewebdata://6ED9F2C4-005D-4CD2-A42E-5A3C5EF29A8E>> 
> From: Simiam Ghan 
> Sent by: c... at googlegroups.com <applewebdata://6ED9F2C4-005D-4CD2-A42E-5A3C5EF29A8E> 
> 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 <https://molmod.ugent.be/deltacodesdft> 
> Greetings,Simiam Ghan 
> 
> 
> 
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