[Pw_forum] epsilon run

[H.Y Geoffrey Tse]

Dear users, 

 

I tried to produce an optical absorption plot, by means of running a
simulation on epsilon.x

The scf calculation in prior to run was doing fine, but somehow crashes when
doing the eps run.

 

I removed the dump files due to its large size.

 

We already tried the following,

 

1) nosym=.true.

2) using same no. of processors as in scf

3) set the k-points manually, setting each with the weight of = 1

 

Still there seems to be no luck.

The QE version I am using is 5.0, running on 4 cores.

Could you look into and thus shed some light on this?

Much appreciated if you could do so.

 

Yours Sincerely,

Geoffrey

 

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H.Y Geoffrey Tse, Postdoctoral, 

Room N202, Physics Building

Peking University

Haidian District

Beijing 100871

P.R China

 

Tel: (+86) 18811792348

Email: geoffrey.tse at pku.edu.cn

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