[QE-users] lattice parameters using ev.x

Lorenzo Paulatto paulatz at gmail.com
Mon Apr 4 18:43:25 CEST 2022


If you specify "noncubic" on the second step you can just provide the volume.

kind regards
--
Lorenzo Paulatto - Paris
On Apr 4 2022, at 4:21 pm, Pooja Vyas <poojavyas595 at gmail.com> wrote:
> Dear users,
>
> As an input for ev.x, I've provided E-V data for tetragonal bct. In its output I obtained the equilibrium volume. May I know how to extract lattice parameters 'a' and 'c' from it?
>
> Regards.
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