Relax will only relax your atomic positions, while vc-relax will relax atomic positions as well lattice parameters. Please read the documentation of pw.x for detail.
bests, sonu *===============================================* With kind regards, Dr. S Kumar, Post doctoral fellow Physical Sciences and Engineering Divison, IBN Sina Building, KAUST, Thuwal, KSA *===============================================* On Sun, Jul 23, 2017 at 10:36 PM, Rajesh <[email protected]> wrote: > Dear users > > Which option is better for geometry optimisation: relax or vc-relax. > Please suggest I am new to quantum espresso. > > Thank you > > Rajesh > > _______________________________________________ > Pw_forum mailing list > [email protected] > http://pwscf.org/mailman/listinfo/pw_forum >
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