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

[Leopold Talirz]

Ah, thanks for the pointer Thomas!

Perhaps it would make sense to add it to the list? I'm sure Stefaan would 
be happy to see cp2k included.

Merry Christmas to you, too!
Cheers,
Leo


On Tuesday, 22 December 2020 at 10:57:37 UTC+1 tkuehne wrote:

> 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 <leo... 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 
>> <+41%2044%20635%2044%2091> 
>> Institut für Chemie C                FAX   : ++41 44 635 6838 
>> <+41%2044%20635%2068%2038> 
>> Universität Zürich                   E-mail: h... at chem.uzh.ch 
>> Winterthurerstrasse 190 
>> CH-8057 Zürich, Switzerland 
>> --------------------------------------------------------------- 
>>
>> -----c... at googlegroups.com wrote: -----To: cp2k <c... at googlegroups.com> 
>>
>> From: Simiam Ghan 
>> Sent by: c... 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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