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What was the problem you were having?
On Tue, 19 May 2020, 17:10 Medha Bhaskar, <bcme...@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 advanceRegards,Medha Bhaskar
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In tutorial you can see the sample file. Change parameters for mp2
On Tue, 19 May 2020, 17:36 Medha Bhaskar, <bcme...@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, <bcme...@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 advanceRegards,Medha Bhaskar
You received this message because you are subscribed to the Google Groups "cp2k" group.
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In tutorial you can see the sample file. Change parameters for mp2
On Tue, 19 May 2020, 17:36 Medha Bhaskar, <bcme...@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, <bcme...@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 advanceRegards,Medha Bhaskar
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--Regards,Nikhil Maroli