[QE-users] How to carry out a series of simulations at the same time and output the stress and energy to one file?

Stefano Baroni baroni at sissa.it
Tue Aug 28 02:07:55 CEST 2018


https://www.dummies.com/DummiesTitle/UNIX-For-Dummies-5th-Edition.productCd-0764541471.html

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Stefano Baroni, Trieste -- http://stefano.baroni.me

> On 28 Aug 2018, at 02:01, Hao Chen <chenhao.hitgucas at gmail.com> wrote:
> 
> Dear All
> 
>      I am a beginner of quantum espresso. I tried to run single simulations and it seem to work now. What I want to investigate is the phase transformation process of silicon. I need carry out a bunch of simulations with different lattice constants. I want to output the energy and the stress state to one file. Do anyone know which command I should use for this purpose? Thanks very much!
> 
> Wish you all the best!
> 
> Hao
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