> Do we need to mention cell_dofree in the case of calculation = "relax" ? > No
> I need to relax only the atomic positions so I chose calculation = > "relax", but it is written in the input file description of pw.x that the > default value for cell_dofree is "all" or this only if vc-relax is chosen ? > Yes > And when I run two calculations 1st with "vc-relax" and the 2nd with > "relax" it is taking the same time while I expected "relax" to be faster > It depends > Thank you > > Best Regards > > Regards > Houcine BOUZID > > Sungkyunkwan University, > Korea > > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users
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