On Wed, Jul 29, 2015 at 4:30 PM, Said Asma <[email protected]> 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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