[QE-users] Epsilon.x Error

[saramoh at tezu.ernet.in]

Okay Sir. Thank you so much.

Sincerely

Saransha Mohanty
Research Scholar,
Tezpur University, Assam,India.




_---------------------------------------------------------------------------
> 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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