Dear Dr. Stephen Weitzner Thanks very much. Would you like to let me know which example I should look at? Thanks again.
Cheers! Hao Weitzner, Stephen Eric <[email protected]> 于2018年8月27日周一 下午8:22写道： > Hi Hao, > > > > If you take a look at one of the PWscf examples, specifically one of the > “run_example” shell scripts, you can find an example for how to do what you > are asking. The book Stefano suggested will teach you how to write such > scripts. There are also free alternatives online that are just a google > search away. > > > > Good luck. > > > > -- > > Stephen Weitzner, PhD > > Postdoctoral Research Scientist > > Quantum Simulations Group > > Lawrence Livermore National Laboratory > > > > > > *From: *users <[email protected]> on behalf of Hao > Chen <[email protected]> > *Reply-To: *Quantum Espresso users Forum <[email protected] > > > *Date: *Monday, August 27, 2018 at 5:12 PM > *To: *"[email protected]" <[email protected] > > > *Subject: *Re: [QE-users] How to carry out a series of simulations at the > same time and output the stress and energy to one file? > > > > Thanks. I mean is there some command like in LAMMPS that can carry out > simulations multitimes with just changing the parameters and output to the > same file? > > > > Stefano Baroni <[email protected]> 于2018年8月27日周一 下午7:08写道： > > > https://www.dummies.com/DummiesTitle/UNIX-For-Dummies-5th-Edition.productCd-0764541471.html > > ___ > > Stefano Baroni, Trieste -- http://stefano.baroni.me > > > On 28 Aug 2018, at 02:01, Hao Chen <[email protected]> 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 > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > users mailing list > [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users
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