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 <bar...@sissa.it> 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 <chenhao.hitgu...@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 > > _______________________________________________ > users mailing list > users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users > > _______________________________________________ > users mailing list > users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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