[CP2K-user] [CP2K:20410] Re: Missing basis sets in online database

[rashe...@gmail.com]

Hi Frederick,

Thanks for your response. Actually, the 7.1 and 9.1 versions are the only 
available options on the HPC that I can use currently. I am actually having 
trouble running a job on this HPC. So I would appreciate it a lot if 
someone ran the attached job oon their hardware and let me know if the run 
was successful. 

Thanks,
eftrsd

On Wednesday, July 3, 2024 at 11:09:09 AM UTC+3 Frederick Stein wrote:

> Dear eftrsd,
> I have never heard of this page before but if you mean the parameters for 
> Carbon, then I am able to find them there. I am sure that you are able to 
> find the parameters in the data directory (compare the current 
> https://github.com/cp2k/cp2k/tree/master/data) of your CP2K installation.
> Anyways, is there a specific reason to stick to such an old version 
> released 5 years ago? The current release is 2024.1.
> Best,
> Frederick
>
> rashe... at gmail.com schrieb am Dienstag, 2. Juli 2024 um 18:17:08 UTC+2:
>
>> Hello,
>>
>> Sometime ago, I used cp2k version 2.6 with the basis set 
>> *TZV2PX-MOLOPT-GTH-q4* with the potential *GTH-PBE-q4*. I am now 
>> preparing cp2k files to be used in version 7.1, however, I cannot find this 
>> basis set in the updated data files found here:
>>
>> https://cp2k-basis.pierrebeaujean.net/
>>
>> Has it been renamed? Can I still use the older data files with the newer 
>> cp2k versions?
>>
>> Thanks
>> eftrsd
>>
>

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