[QE-users] Epsilon.x Error

[Lorenzo Paulatto]

Dear Saransha,
it is just a very large number that cannot fit in the column space and is replaced by "****" automatically by Fortran. If you system has a small gap, the value of epsilon tends to diverge when you get close to zero. You may modify the code to have it printed out correctly, but it would probably be meaningless anyway.

kind regards
--
Lorenzo Paulatto - Paris
On Sep 27 2021, at 4:21 am, saramoh at tezu.ernet.in wrote:
> Hello,
> I am doing optical propeties calculation for hetero structures using
> epsilon.x
> However, using epsilon.x for optical properties, when i set wmin= 0.0d0,
> in espr.dat file for 0.0000 energy i dnt get any number.I got stars
> ******* instead of number in real part corresponding to 0.000. For
> imaginary part,there is no such case.
> Sir, may be this question is a trivial one but please suggest what should
> i do?
>
> 1.could we set wmin= 0.01d0 , or anything except than 0.0d0.?
> 2. Is it physically acceptable?
>
>
> Waiting for your kind response. Thanking you.
>
> Warm regards
> Saransha Mohanty
> Research Scholar,
> Tezpur University, Assam.
>
>
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