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

[Paolo Giannozzi]

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.

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
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