[CP2K-user] [CP2K:13339] MP2 on cp2k

Nikhil Maroli scin... at gmail.com
Tue May 19 19:43:31 UTC 2020


In tutorial you can see the sample file. Change parameters for mp2

On Tue, 19 May 2020, 17:36 Medha Bhaskar, <bcme... at gmail.com> wrote:

> 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> 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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