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I am calculating the dielectric (Epsilon) for ZnO by quantum espresso, when I run the eps.in file, I always get this error. Reading namelist energy_grid' How do I solve this problem?

My eps.in:

&INPUTPP
calculation = 'eps',
outdir = './' /
&ENERGY_GRID 
smeartype = 'gauss',
intersmear = 0.1500,
intrasmear = 0.000,
wmax = 10.000,
wmin = 0.000,
nw = 600,
shift = 0.010, 
$\endgroup$
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1 Answer 1

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Whenever there is an error saying Reading namelist *******, that means there is something wrong with the input file, almost always it is a syntax mistake.

I think here you didn't close the namelist with a / properly. I am not sure about the soundness of your input parameters, but a correct way to write the same input file would look like:

&INPUTPP
calculation = 'eps'
outdir      = './'
/
&ENERGY_GRID 
smeartype  = 'gauss'
intersmear = 0.1500
intrasmear = 0.000
wmax       = 10.000
wmin       = 0.000
nw         = 600
shift      = 0.010
/

This should work.

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