[CP2K-user] [CP2K:16955] Not answering is worst than cursing ; D

Eric Ledieu eric.ledieu.science at gmail.com
Thu May 12 15:53:09 UTC 2022


PS: to be entirely clear, I very much appreciate all the experts of the 
community doing as much as they do already. I am just struck by how much I 
do not know and asking one off questions hoping for an answer (especially 
since the question has likely been asked before) seems like a waste of 
their time, and a centralized tutorial like the HowTo but for variable 
selection seems more efficient.

On Thursday, May 12, 2022 at 10:49:10 AM UTC-5 Eric Ledieu wrote:

> Hello both of you!
>
> As a newbie, I definitely would rather get told off in the general 
> direction of an answer than receive no answer. I think I understand a lot 
> of the how now (as in how to do task X in CP2K by following a tutorial) but 
> the things like why each parameter is selected is a bit trickier. I know 
> these are not trivial topics that can be answered quickly, but when picking 
> up the software as the first person in the lab to do so with limited local 
> resources, alternatives are not plentiful. as it stands, the best option I 
> have found is to look up a random ab initio paper and go to their method 
> section, hoping to see what parameters they used for a few variable and 
> why. While the CP2K community is not responsible for any of this, there has 
> to be a better way.
>
> With best wishes,
> -Eric  
>
> On Thursday, May 12, 2022 at 6:41:48 AM UTC-5 anton.s.l... at gmail.com 
> wrote:
>
>> Hi Mozhdeh, 
>>
>> 12.05.2022 12:47, Mozhdeh Mohammadpour пише: 
>> > But no comment at all is a dead-end, especially for the newbies. 
>>
>> Indeed, it's infamous. 
>>
>> The problem is that everybody tries to answer within her or his 
>> expertise and ability, it is not a paid work (unfortunately). The scope 
>> of CP2K methods and applications is extremely broad, and a single person 
>> could not even try to be an expert in all of them. Answering any 
>> question implies the person(s) in charge, who is obligued to deal with 
>> the questions. 
>>
>> Regarding the newbies questions, I think that solid introductory courses 
>> in at least some aspects of CP2K usage will be more beneficial. Again, 
>> it's a question of time and efforts, and of the broad scope of CP2K. 
>> Let's do more of them? 
>>
>> Yours, 
>>
>> Anton 
>>
>>

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