[QE-users] question about epsilon.x

Sabrine Ayari sabrine.ayari at phys.ens.fr
Tue May 3 12:50:40 CEST 2022


Dear QE users


Dear
i am new in DFT calculation ( i use quantum espresso) ,
now i am using epsilon.x input to find optical properties.
i have write the following input :
&inputpp
outdir = './out/'
prefix = 'aiida'
calculation = 'eps'
/
&ENERGY_GRID
smeartype = 'gauss'
intersmear =0.1
intrasmear = 0.0
wmax = 10.0
wmin = 0.0
nw = 500
shift = 0.0
/
but i have the following error :
task # 0
from epsilon : error # 5010
reading namelist ENERGY_GRID
can you please help me to solve/undrestand the origin of  the error ??
Best regards
Thanks

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