[QE-users] Why some of the keys used by input file start with &, some not?

[Hongyi Zhao]

Paolo Giannozzi <p.giannozzi at gmail.com> 于2020年4月17日周五 下午4:40写道：
>
> The main QE codes, pw.x and cp.x, require a bunch of data and options. These are read via a few "namelists" and "cards".
> - Namelist are the standard fortran way to attribute values to variables. They are suitable for "small" data: single values or a few values. For larger data sets they are clumsy to use.
> - Cards are custom-made, programmed into QE, and are suitable for larger data sets: atomic positions etc..
>
> One may or may not like the way QE input is organized (I don't especially like it) but:
> - when you have to provide several arrays and hundreds of options to a code, no matter how you organize it, it will be a mess
> - changing it without a very valid reason is not a great idea.

Thanks a lot, got it.

Best

>
> Paolo
>
> On Fri, Apr 17, 2020 at 8:51 AM Hongyi Zhao <hongyi.zhao at gmail.com> wrote:
>>
>> Hi,
>>
>> Just as the keywords list for the input file give here:
>>
>> https://www.quantum-espresso.org/Doc/INPUT_PW.html
>>
>> Some of them start with &, some not.  Why designed them in this quirky way?
>> I really cannot figure it out, any hints?
>>
>> Regards
>> --
>> Hongyi Zhao <hongyi.zhao at gmail.com>
>> _______________________________________________
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>
>
>
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
> _______________________________________________
> Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso)
> users mailing list users at lists.quantum-espresso.org
> https://lists.quantum-espresso.org/mailman/listinfo/users



-- 
Hongyi Zhao <hongyi.zhao at gmail.com>