[QE-users] Freezing Intermediate Images in NEB Calculation

[Achintya Kumar]

Dear Thomas
I have done the same thing by splitting my path in two separate paths, but
I was just interested to know whether it is possible or not to fix an
intermediate images.
Thanks for your answer.

On Mon, Jul 1, 2019 at 1:55 PM Thomas Brumme <thomas.brumme at uni-leipzig.de>
wrote:

> Dear Achintya,
>
> I think that fixing an intermediate image is not possible as this makes no
> sense.
> If an image is fixed, it is also an end point of an elastic band... So, if
> you just
> split your path in two separate paths you can fix this "intermediate"
> image.
>
> Cheerio
>
> Thomas
>
> On 7/1/19 8:19 AM, Achintya Kumar wrote:
>
> Hello
> How can I kept frozen intermediate images in NEB calculation?
>
> --
> =========================
> Achintya Priydarshi
> Research Scholar
> IIT Kanpur.
> ===========================
>
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> --
> Dr. rer. nat. Thomas Brumme
> Wilhelm-Ostwald-Institute for Physical and Theoretical Chemistry
> Leipzig University
> Phillipp-Rosenthal-Strasse 31
> 04103 Leipzig
>
> Tel:  +49 (0)341 97 36456
>
> email: thomas.brumme at uni-leipzig.de
>
>

-- 
=========================
Achintya Priydarshi
Research Scholar
IIT Kanpur.
===========================
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