[QE-users] vc-relax

[Giovani Rech]

Hi Sabike,
Try using cell_dofree = 'ibrav' in your input file. You can find the
explanation of this option in the pw.x input description
<https://www.quantum-espresso.org/Doc/INPUT_PW.html#idm1023>.

Giovani Rech,
Universidade de Caxias do Sul
Caxias do Sul, Brazil

On Fri, May 24, 2019 at 7:22 AM Sabike Ghasemi <s.ghasemi at du.ac.ir> wrote:

> hi all,
> I did vc-relax for a tetragonal crystal structure, after diong it,
> structure convert to orthorhombic. do it is correct?
> i expect stucture be tetragonal after vcrelax.
>
>
>
>
> phd student,damghan university,iran
> sabike ghasemi
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