[CP2K-user] [CP2K:13337] MP2 on cp2k

Medha Bhaskar bcme... at gmail.com
Tue May 19 12:06:05 UTC 2020


I wanted to know how to structure an MP2 code for CP2K as I am new to the 
platform. It would be of great help if you could send me a sample file of 
MP2 or just tell me how to structure it.Thanks for your reply. 

On Tuesday, May 19, 2020 at 5:30:08 PM UTC+5:30, Nikhil Maroli wrote:
>
> What was the problem you were having?
>
> On Tue, 19 May 2020, 17:10 Medha Bhaskar, <bc... at gmail.com <javascript:>> 
> wrote:
>
>> 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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