[CP2K-user] [CP2K:16962] Not answering is worst than cursing ; D

ma455...@gmail.com ma455173220 at gmail.com
Fri May 13 03:16:29 UTC 2022


I think CP2K community is already very active. The developers and some 
experts tried to help a lot. But CP2K really covers quite a lot of methods. 
I think there are very little people can provide answers to all kinds of 
questions, especially some methods that were developed long time ago. 
Indeed hoping to enhance the tutorials of CP2K a little bit (or developing 
a latest and *user-friendly* code that can generate *.inp files for 
different applications; e.g., GEO_OPT, CELL_OPT, MD, STM, Band structure, 
DOS, etc...). Maybe something like vaspkit or Multiwfn. Avogadro is so hard 
to use... 
在2022年5月13日星期五 UTC+10 01:53:09<eric.ledi... at gmail.com> 写道:

> 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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