[CP2K-user] MP2 on cp2k

[Vladimir Rybkin]

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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