[QE-users] Freezing Intermediate Images in NEB Calculation

[Thomas Brumme]

Dear Achintya,

I wrote:

"I think that fixing an intermediate image is not possible as this makes 
no sense."

and additionally I didn't find anything in the input description. Thus, 
I would change
my "I think" to "I believe"

Cheerio

Thomas

On 7/1/19 11:59 AM, Achintya Kumar wrote:
> 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 <mailto: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.
>>     ===========================
>>
>>     _______________________________________________
>>     Quantum ESPRESSO is supported by MaX (www.max-centre.eu/quantum-espresso  <http://www.max-centre.eu/quantum-espresso>)
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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  <mailto:thomas.brumme at uni-leipzig.de>
>
>
>
> -- 
> =========================
> Achintya Priydarshi
> Research Scholar
> IIT Kanpur.
> ===========================

-- 
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

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