[CP2K-user] [CP2K:15560] Doubt regarding the input file

Mostafa Abedi abedimo... at gmail.com
Mon Jun 14 12:56:19 UTC 2021


Try this:

Paper:
Graphical user interface for an easy and reliable construction of input
files to CP2K <https://link.springer.com/article/10.1007/s00894-019-3987-6>

Code:
https://github.com/avishart/CP2K_Editor



On Mon, Jun 14, 2021 at 8:34 AM Nikhil Maroli <scin... at gmail.com> wrote:

> Avogadro
>
> On Mon, 14 Jun 2021, 17:52 Upasana Nath, <upa... at gmail.com> wrote:
>
>> Dear CP2K user.
>>
>> I am a new user of cp2k and  trying to do molecular Dynamics calculation
>> of graphene. Can you please suggest to me how to proceed, and how to make
>> the input file? is there any GUI or how?
>>
>> Your kind response will be highly appreciated.
>>
>> Thanks & Regards
>> Upasana
>>
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