[CP2K-user] [CP2K:15561] Doubt regarding the input file

[ma...@gmail.com]

Hi,

I suggest trying Multiwfn to generate the cp2k input file. This is much 
easier for beginners.

Regards,
Hongyang

在2021年6月15日星期二 UTC+10 上午1:38:37<u... at gmail.com> 写道：

> Thank you.
>
> On Mon, 14 Jun 2021 at 18:26, Mostafa Abedi <abe... at gmail.com> wrote:
>
>> 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 <sc... at gmail.com> wrote:
>>
>>> Avogadro
>>>
>>> On Mon, 14 Jun 2021, 17:52 Upasana Nath, <u... 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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>>>>
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> To view this discussion on the web visit 
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