[Pw_forum] error epsilon calculation

[Paolo Giannozzi]

On Wed, Jul 29, 2015 at 4:30 PM, Said Asma <saidasma1987 at yahoo.fr> wrote:
>
> &energy_grid
> smeartype=’gauss’,
> intersmear=0.136d0,
> intrasmear=0.0d0,
> wmax=30.0d0,
> wmin=0.0d0,
> nw=500,
> shift=0.0d0,
>
> when i change the parameters in the list energy grid, sometimes it
displays the error : " Error in routine epsilon (1): reading namelist
ENERGY GRID espresso" or it runs in an open loop.
>
> Why such a problem occurs?


because there is an error in the namelist energy_grid. The one you report
does not contain the termination character "/", for instance

Paolo

-- 
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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