[Pw_forum] pwscf use for allows

[Stefano de Gironcoli]

The code uses the variables nat and ntyp  (in the namelist input) in
order to set
the number of atoms and the number of atomic types (how many different
atomic species
are present), for each species a pseudopotential file must be specified.

After the namelist a few lines connectng the atomic types to the
pseudopotentials are read,
and then the position (and type) of each atom is read.
The kpoint list is then read.

Please read carefully the INPUT_PW help file and the examples in
pw_example

regards,

Stefano de Gironcoli


bahmed daoudi wrote:

>
>  please i wante to use the pwscf code to calculate the binary and
> terner allows properties, can I change the number of atoms in the
> inpute file or what is the rule for do itthanks.
>
>
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