[QE-users] 'cell_dofree' and 'relax'

[Lorenzo Paulatto]

> 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
>
>
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