[CP2K-user] MP2 on cp2k

[Medha Bhaskar]

Hello Vladimir.

Thank you for your response, Yes that is true, I am awaiting HPC access 
from my University. I will definitely go through the link.
Thanks once again for your help.

Regards,
Medha Bhaskar

On Wednesday, May 20, 2020 at 2:18:09 AM UTC+5:30, Vladimir Rybkin wrote:
>
> Dear Medha Bhaskar,
>
> a few points:
> 1) there is a tutorial on MP2:
> https://www.cp2k.org/exercises:2017_uzh_cp2k-tutorial:wfc
> 2) MP2 is not a simple method for simple calculations. Almost anything you 
> would like to do requires HPC resources, i.e. at least several hundreds of 
> processors.
>
> Yours,
>
> Vladimir
>
>
> вторник, 19 мая 2020 г., 13:40:39 UTC+2 пользователь Medha Bhaskar написал:
>>
>> hello everyone,
>>
>> I wanted to know how to run a simple MP2 calculation on cp2k for CO2, I 
>> went through the manual and the documentation and since its a recent 
>> addition to cp2k, I wanted some clarity. Thank you in advance
>>
>> Regards,
>> Medha Bhaskar
>>
>
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