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 <[email protected]> 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 <[email protected]> > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > -- 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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