[Pw_forum] Regarding controlled dynamics

[Lorenzo Paulatto]

Hello, are you sure you need the vacuum? You can just alternate the two
materials and have 2 interfaces for the price of one. Also, vacuum in plane
waves is not free.

Regards

-- 
Lorenzo Paulatto
Written on a virtual keyboard with real fingers

On 20 May 2017 2:52 p.m., "Vipul Shivaji Ghemud" <
vipul at physics.unipune.ac.in> wrote:

> Hi all,
> I am planing to work on interfaces. In doing so, I want to keep few layers
> of a structure fixed while few to relax. In short this is what I am
> planning :
>
> 10A vacuum
> 2layers fixed
> 4layers to relax
> 2layers fixed
>
> How can I do this type of controlled dynamics?
>
> Thanx in advance.
>
> --
> Vipul S. Ghemud
> Ph.D. student.
> Dept of Physics,
> SPPU, Ganeshkhind,
> Pune- 411007.
>
>
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://pwscf.org/mailman/listinfo/pw_forum
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20170520/33aee6d5/attachment.html>