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

[Medha Bhaskar]

Yes sure will do the same. Can you help me in letting me know what 
parameters are to be changed?, also I have an MP2 file with me and wanted 
to know if its structured properly, as I am waiting for access of HPC. 
Thank you for your reply.

On Wednesday, May 20, 2020 at 1:14:28 AM UTC+5:30, Nikhil Maroli wrote:
>
> In tutorial you can see the sample file. Change parameters for mp2
>
> On Tue, 19 May 2020, 17:36 Medha Bhaskar, <bc... at gmail.com <javascript:>> 
> 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
>>>>
>>>> -- 
>>>> You received this message because you are subscribed to the Google 
>>>> Groups "cp2k" group.
>>>> To unsubscribe from this group and stop receiving emails from it, send 
>>>> an email to c... at googlegroups.com.
>>>> To view this discussion on the web visit 
>>>> https://groups.google.com/d/msgid/cp2k/b59a22f7-87e2-49c6-a38a-6edc1491557b%40googlegroups.com 
>>>> <https://groups.google.com/d/msgid/cp2k/b59a22f7-87e2-49c6-a38a-6edc1491557b%40googlegroups.com?utm_medium=email&utm_source=footer>
>>>> .
>>>>
>>> -- 
>> You received this message because you are subscribed to the Google Groups 
>> "cp2k" group.
>> To unsubscribe from this group and stop receiving emails from it, send an 
>> email to c... at googlegroups.com <javascript:>.
>> To view this discussion on the web visit 
>> https://groups.google.com/d/msgid/cp2k/e1a999d5-e5f1-4822-9d87-da1bc6bd0ff1%40googlegroups.com 
>> <https://groups.google.com/d/msgid/cp2k/e1a999d5-e5f1-4822-9d87-da1bc6bd0ff1%40googlegroups.com?utm_medium=email&utm_source=footer>
>> .
>>
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20200520/cb31ea1b/attachment.htm>