[QE-users] Calculation of epsilon.x

[Anuja Chanana]

Dear all,
I am trying to run epsilon.x by reading the following tutorial
https://www.paradim.org/sites/default/files/2019-05/Band_Structure_and_UV-VIS_Spectra.pdf


The manual says that for the calculation of epsilon, a finer-k mesh is
required like 30x30x30.
I have a triclinic system where
a = 6.3 A  b = 6.5 A  c = 5.9 A
alpha 121.358  beta 88.3349  gamma 106.391

If I increase the k-mesh to 30x30x30, the initial scf simulation doesn't
run at all.
Nothing gets written. Why does that happen?
Has anyone experienced it before?

Thanks
Anuja


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07/01/19,
09:14:40 PM
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