[CP2K-user] [CP2K:16954] Not answering is worst than cursing ; D

Eric Ledieu eric.ledieu.science at gmail.com
Thu May 12 15:49:10 UTC 2022


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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