[QE-users] running error

[Jayraj Anadani]

Because you are setting ionic temperature but you are not giving any
dynamics to ions.
assign the ion_dynamics = 'verlet' or 'bfgs' (according to your choices)

Jayraj Anadani
Department of physics
SPU Research scholar

On Mon, 26 Sep, 2022, 12:46 pm Haider Abbas, <haiderabbasphy at gmail.com>
wrote:

> Dear all,
> with the input given below
>  &ions
>     ion_dynamics='none', ion_temperature='andersen', tempw='310.D0',
>     nraise='reduce-T',
>
> I got the error
>
>      Error in routine  read_namelists (5010):
>       reading namelist ions
>
> Request you  to all help me to overcome this problem.
> Please let me know where is the mistake
>
> with regards
> Haider Abbas
>
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